⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6385816 | 0.82 | — | — | |
| SCHEMBL5820550 | 0.69 | CYP19A1 (0.33) | — | |
| SCHEMBL4486310 | 0.69 | NPC1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL6385290 | 0.68 | CYP19A1 (0.32) | — | |
| SCHEMBL27989925 | 0.66 | NPC1 (0.40) | — | |
| SCHEMBL8397303 | 0.65 | — | — | |
| SCHEMBL27558991 | 0.63 | CYP1A2 (0.31) | — | |
| SCHEMBL5011498 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL3149077 | 0.63 | — | — | |
| SCHEMBL4557939 | 0.62 | NPC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006137818-A1 | CATALYST COMPONENTS AND THEIR USE IN THE POLYMERIZATION OF OLEFINS | FINA TECHNOLOGY, INC. (US) | 2006-12-28 | — | — | WO | disclosed |
| US-20050148460-A1 | Catalyst components and their use in the polymerization of olefins | FINA TECHNOLOGY, INC. | 2005-07-07 | — | — | US | disclosed |