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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL5386220 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5387460 | 0.83 | — | — | |
| Fluoride Ion SCHEMBL5392326 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL5389969 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1115771 | 0.78 | CYP19A1 (0.32) | — | |
| Fluoride Ion SCHEMBL5396189 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5396170 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5392000 | 0.75 | — | — | |
| SCHEMBL5393337 | 0.73 | — | — | |
| SCHEMBL5393618 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7214747-B2 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | claimed |
| EP-1737875-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005108410-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-17 | — | — | WO | claimed |
| US-20050239980-A1 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | claimed |
| US-7214747-B2 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | disclosed |
| EP-1737875-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005108410-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-17 | — | — | WO | disclosed |
| US-20050239980-A1 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | disclosed |