Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4603147

CCCCN(CCCC)C(Cl)=[N+](CCCC)CCCC.[Cl-]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10350547 0.98 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL17363295 0.89 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL7773830 0.85 CA12 (0.32) CA12CA1CA9ALDH1A1CA2
Hydrochloric Acid SCHEMBL1535756 0.78 CA12 (0.40) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL31303166 0.78 MGLL (0.36) CA12CA1CA9ALDH1A1CA2
Hydrochloric Acid SCHEMBL6265698 0.77 CA12 (0.39) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL1713038 0.76 CA12 (0.41) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL25406366 0.75 CA12 (0.38) CA12CA1CA9ALDH1A1ALDH2
Fluoride Ion SCHEMBL5446663 0.74 CA12 (0.40) CA12CA1CA9ALDH1A1ALDH2
Bromide SCHEMBL6155069 0.74 CA12 (0.40) CA12CA1CA9ALDH1A1ALDH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
CN-1073088-C method for preparing organic disulphides and polysulphides in the presence of polystyrene-divinylbenzene (PS-DVB) resins containing guanidine and amidine groups ELF AQUITAINE (FR) 2001-10-17 CN disclosed
EP-0769512-B1 Process for preparing polycondensation polymers using haloiminium salts as condensation agents MITSUI CHEMICALS INC (JP) 2001-07-18 EP disclosed
US-5973080-A MODIFIED DIVINYLBENZENE-STYRENE COPOLYMER ELF AQUITAINE PRODUCTION (FR) 1999-10-26 US disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP disclosed
CN-1204317-A Method for preparing organic disulphides and polysulphides in presence of polystyrene-divinylbenzene (PS-DVB) resins having guanidine or amidine groups ELF AQUITAINE (FR) 1999-01-06 CN disclosed
US-5817716-A MODIFIED DIVINYLBENZENE-STYRENE COPOLYMER ELF AQUITAINE PRODUCTION (FR) 1998-10-06 US disclosed
US-5767229-A REACTING SULFUR WITH MERCAPTAN OR LOWER ORDER POLYSULFIDE TO FORM DISULFIDE OR HIGHER ORDER POLYSULFIDE ELF AQUITAINE PRODUCTION (FR) 1998-06-16 US disclosed
US-5726253-A REACTING DIVINYLBENZENE-STYRENE RESIN WITH CHLOROFORMAMIDINIUM CHLORIDE IN BASE ELF AQUITAINE PRODUCTION (FR) 1998-03-10 US disclosed
US-5719256-A CONDENSING CARBOXYL GROUP CONTAINING COMPOUND AND ACTIVE HYDROGEN CONTAINING COMPOUND IN PRESENCE OF HALOIMINIUM SALT AS POLYMERIZATION CATALYST MITSU TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
EP-0769512-A2 Process for preparing polycondensation polymers MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-23 EP disclosed
US-4806286-A CATALYSIS WITH GUANIDINIUM SALT; PESTICIDES, POLYMERIZATION CATALYSTS SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 CA12 2840/4885CA1 1826/4885CA9 1766/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 CA12 3080/4885CA1 1663/4885CA9 1644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.