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 | |
|---|---|---|---|---|
| SCHEMBL7940024 | 0.97 | — | — | |
| SCHEMBL7575272 | 0.78 | PGR (0.38) | — | |
| SCHEMBL7582386 | 0.77 | PGR (0.40) | — | |
| SCHEMBL6470854 | 0.77 | PGR (0.40) | — | |
| SCHEMBL7571267 | 0.76 | TDP2 (0.37) | — | |
| SCHEMBL7573525 | 0.73 | TDP2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL7940037 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL717023 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL713517 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7930815 | 0.70 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0666267-B1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM CO (US) | 2001-04-18 | — | — | EP | claimed |
| EP-0666267-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-08-09 | — | — | EP | claimed |
| EP-0705851-B9 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-08-11 | — | — | EP | disclosed |
| EP-0705851-B1 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-01-21 | — | — | EP | disclosed |
| US-5710224-A | CATALYTIC POLYMERIZATION OF ETHYLENE USING FLUORENE INDENYL ETHANE ZIRCONIUM DICHLORIDE WITH METALLOCENE | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| US-5594078-A | BRIDGED FLUORENYL METALLOCENE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0729978-A1 | Polyethylene and method for production thereof | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5534473-A | METALLOCENES AND COCATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-07-09 | — | — | US | disclosed |
| EP-0705851-A2 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | PHILLIPS PETROLEUM COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |