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 | |
|---|---|---|---|---|
| SCHEMBL7603721 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7939262 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7940379 | 0.77 | SLC6A4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7937876 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7940375 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7942789 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7603013 | 0.63 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7940430 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL18070183 | 0.63 | DNMT1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7940442 | 0.62 | DNMT1 (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 |
|---|---|---|---|---|---|---|---|
| EP-0672675-B1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM CO (US) | 2002-07-24 | — | — | EP | claimed |
| EP-0672675-A1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-20 | — | — | EP | claimed |
| US-5451649-A | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-19 | — | — | US | claimed |
| EP-0672675-B1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM CO (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1123938-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2001-08-16 | — | — | EP | disclosed |