Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9065308

CC1=C(C)CC(C2(C(=O)N[Ti+2])CC3CCC2C3)=C1.[Cl-].[Cl-]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL9065910 0.75
Hydrochloric Acid SCHEMBL217205 0.73 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL6265303 0.72
Hydrochloric Acid SCHEMBL6440625 0.67 HDAC4 (0.36)
Hydrochloric Acid SCHEMBL219382 0.62
SCHEMBL7205553 0.59
Hydrochloric Acid SCHEMBL9065650 0.59 P2RX7 (0.42)
SCHEMBL3645162 0.57 ALOX5AP (0.48)
Hydrochloric Acid SCHEMBL2116036 0.55 ALDH1A1 (0.39)
SCHEMBL671723 0.55 GRIN2D (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539056-A POLYPROPYLENE BLEND OF HIGH AND LOW MOLECULAR WEIGHT POLYMERS FOR HIGH STRENGTH FLEXIBLE HOSES, TUBES, AUTOMOBILE BUMPERS, GASKETS OR MEDICAL DEVICES EXXON CHEMICAL PATENTS INC. (US) 1996-07-23 US disclosed