Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8612387

C=C(C)C(=O)OC(C)[N+](CC)(CC)CC.CC=C(C)C(=O)O.[Cl-]

nearest known ligand 0.34

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 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL1426634 0.87 TSHR (0.42) TSHRTHRB
SCHEMBL1044532 0.86 TSHR (0.44) TSHRTHRB
Bromide SCHEMBL28722147 0.84 TSHR (0.42) TSHRTHRB
SCHEMBL27591592 0.76 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL27544507 0.75 TSHR (0.36) TSHRTHRB
Hydrochloric Acid SCHEMBL28719893 0.74 TSHR (0.41) TSHRTHRB
Hydrochloric Acid SCHEMBL27548099 0.73 TSHR (0.38) TSHR
Hydrochloric Acid SCHEMBL28053346 0.73 TSHR (0.41) TSHRTHRB
Hydrochloric Acid SCHEMBL8336554 0.73 TSHR (0.41) TSHRTHRB
SCHEMBL27533620 0.72 TSHR (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0886519-A1 SUSTAINED RELEASE FORMULATION CONTAINING DFMO Ilex Oncology, Inc. (US) 1998-12-30 EP disclosed
WO-1998019667-A1 SUSTAINED RELEASE FORMULATION CONTAINING DFMO ILEX ONCOLOGY, INC. (US) 1998-05-14 WO disclosed