⚠ 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 SCHEMBL5347750 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5340842 | 0.83 | — | — | |
| Fluoride Ion SCHEMBL5343650 | 0.79 | DRD2 (0.33) | — | |
| Fluoride Ion SCHEMBL5350222 | 0.79 | DRD2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5345383 | 0.75 | DRD2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5355278 | 0.75 | DRD2 (0.30) | — | |
| Fluoride Ion SCHEMBL5343172 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL5349183 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5347822 | 0.71 | CYP11B1 (0.31) | — | |
| Fluoride Ion SCHEMBL5356351 | 0.70 | CYP3A4 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7214746-B2 | Phosphorus bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-20050239981-A1 | Phosphorus bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | disclosed |