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 SCHEMBL9077847 | 0.74 | — | — | |
| SCHEMBL8676704 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2485989 | 0.71 | — | — | |
| SCHEMBL9615106 | 0.70 | — | — | |
| SCHEMBL8677644 | 0.70 | — | — | |
| SCHEMBL8676122 | 0.70 | ALDH1A1 (0.31) | — | |
| Ethylene SCHEMBL4978646 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL811646 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL124211 | 0.68 | — | — | |
| SCHEMBL8677392 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968261-B2 | Zirconocene containing photoconductors | XEROX CORPORATION (US) | 2011-06-28 | — | — | US | claimed |
| US-20090297968-A1 | ZIRCONOCENE CONTAINING PHOTOCONDUCTORS | XEROX CORPORATION (US) | 2009-12-03 | — | — | US | claimed |
| US-7968261-B2 | Zirconocene containing photoconductors | XEROX CORPORATION (US) | 2011-06-28 | — | — | US | disclosed |
| US-20090297968-A1 | ZIRCONOCENE CONTAINING PHOTOCONDUCTORS | XEROX CORPORATION (US) | 2009-12-03 | — | — | US | disclosed |