⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8580931 | 0.77 | — | — | |
| SCHEMBL7604393 | 0.76 | PNMT (0.47) | — | |
| Hydrochloric Acid SCHEMBL8580579 | 0.76 | NPC1 (0.31) | — | |
| SCHEMBL7647636 | 0.75 | PNMT (0.48) | — | |
| SCHEMBL7613461 | 0.74 | PNMT (0.47) | — | |
| Hydrochloric Acid SCHEMBL5357721 | 0.73 | PNMT (0.46) | — | |
| Hydrochloric Acid SCHEMBL5346729 | 0.73 | PNMT (0.46) | — | |
| SCHEMBL8580928 | 0.71 | TNK2 (0.31) | — | |
| SCHEMBL8857127 | 0.71 | PNMT (0.46) | — | |
| Hydrochloric Acid SCHEMBL7609023 | 0.69 | PNMT (0.44) | — |
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-5830958-A | Polynuclear metallocene preparation and use | PHILLIPS PETROLEUM COMPANY (US) | 1998-11-03 | — | — | US | disclosed |
| US-5705578-A | Method for making and using a supported metallocene catalyst system | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-06 | — | — | US | disclosed |