⚠ 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 SCHEMBL5380059 | 0.97 | CYP11B1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5402163 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5393381 | 0.91 | — | — | |
| Fluoride Ion SCHEMBL5386979 | 0.91 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL5385593 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5385152 | 0.90 | BCHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL5397807 | 0.89 | CYP3A4 (0.31) | — | |
| Fluoride Ion SCHEMBL5384162 | 0.88 | CYP2D6 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5385656 | 0.88 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL5390522 | 0.88 | — | — |
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-7214747-B2 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | 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 |
| US-20050239980-A1 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | disclosed |