Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9528539

CCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)Oc1ccon1.[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 SCHEMBL9528920 1.00
Hydrochloric Acid SCHEMBL9528547 1.00
SCHEMBL9531297 0.99
SCHEMBL9532601 0.87
Hydrochloric Acid SCHEMBL9119534 0.86
SCHEMBL8538219 0.85
SCHEMBL9531283 0.85
SCHEMBL9531289 0.85
SCHEMBL9529750 0.85
Hydrochloric Acid SCHEMBL9529361 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
US-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed