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 | |
|---|---|---|---|---|
| SCHEMBL4480345 | 0.97 | — | — | |
| SCHEMBL4375927 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6858048 | 0.82 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6862745 | 0.79 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL995806 | 0.79 | GPR3 (0.34) | — | |
| SCHEMBL7510367 | 0.79 | GPR3 (0.36) | — | |
| SCHEMBL540904 | 0.77 | GPR3 (0.35) | — | |
| SCHEMBL4498168 | 0.76 | GPR3 (0.31) | — | |
| SCHEMBL28790426 | 0.74 | GPR3 (0.33) | — | |
| SCHEMBL29171300 | 0.73 | GPR3 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7635781-B2 | Synthesis of cyclopentadiene derivatives | BASELL POLYOLEFINE GMBH (DE) | 2009-12-22 | — | — | US | disclosed |
| US-20080287692-A1 | Synthesis of cyclopentadiene derivatives | BASELL POLYOLEFINE GMBH (DE) | 2008-11-20 | — | — | US | disclosed |
| EP-1387827-B1 | SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES | BASELL POLYOLEFINE GMBH (DE) | 2008-09-24 | — | — | EP | disclosed |
| US-7253292-B2 | Synthesis of cyclopentadiene derivatives | BASELL POLYOLEFINE GMBH (DE) | 2007-08-07 | — | — | US | disclosed |
| US-20040236115-A1 | Synthesis of cyclopentadiene derivatives | EQUISTAR CHEMICALS, LP | 2004-11-25 | — | — | US | disclosed |