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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8914184 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28239058 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL17442494 | 0.87 | — | — | |
| SCHEMBL27334485 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL2294091 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL6196264 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6620970 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4235228 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7168696 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2283898 | 0.75 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132538-A1 | Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles | PFIZER INC | 2008-06-05 | — | — | US | disclosed |
| US-20050256162-A1 | Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles | PFIZER INC | 2005-11-17 | — | — | US | disclosed |
| US-20030199540-A1 | Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles | LOWE JOHN ADAMS (US) | 2003-10-23 | — | — | US | disclosed |
| US-20030114439-A1 | Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles | PFIZER INC. | 2003-06-19 | — | — | US | disclosed |
| EP-1209157-A1 | Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds | PFIZER INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| US-20020035147-A1 | Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles | PFIZER INC. | 2002-03-21 | — | — | US | disclosed |
| EP-1172106-A2 | Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists | Pfizer Products Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-5773450-A | ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0687268-B1 | SPIROAZACYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 1998-05-27 | — | — | EP | disclosed |
| US-5744480-A | ANTIINFLAMMATORY AGENTS, NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0594636-A1 | 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES | PFIZER INC. (US) | 1994-05-04 | — | — | EP | disclosed |
| EP-0589924-A1 | FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. | PFIZER (US) | 1994-04-06 | — | — | EP | disclosed |
| US-5232929-A | 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use | PFIZER INC. (US) | 1993-08-03 | — | — | US | disclosed |
| EP-0550635-A1 | FUSED RING ANALOGS OF NITROGEN CONTAINING NONAROMATIC HETEROCYCLES. | PFIZER (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1993001170-A1 | 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES | PFIZER INC. (US) | 1993-01-21 | — | — | WO | disclosed |
| WO-1993000331-A1 | FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES | PFIZER INC. (US) | 1993-01-07 | — | — | WO | disclosed |
| WO-1992006079-A1 | FUSED RING ANALOGS OF NITROGEN CONTAINING NONAROMATIC HETEROCYCLES | PFIZER INC. (US) | 1992-04-16 | — | — | WO | disclosed |
| WO-1991009844-A1 | SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1991-07-11 | — | — | WO | disclosed |
| EP-0436334-A2 | 3-Aminopiperidine derivatives and related nitrogen containing heterocycles | PFIZER INC. (US) | 1991-07-10 | — | — | EP | disclosed |
| US-4526993-A | Reacting activated conjugated dienoic acid ester with alkali metal borohydride | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-07-02 | — | — | US | disclosed |