⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3734739 | 0.89 | — | — | |
| SCHEMBL3742506 | 0.86 | HTR5A (0.31) | — | |
| SCHEMBL3731883 | 0.85 | — | — | |
| SCHEMBL3735377 | 0.84 | CYP2D6 (0.34) | — | |
| SCHEMBL796323 | 0.83 | HTR2A (0.30) | — | |
| SCHEMBL3737465 | 0.82 | — | — | |
| SCHEMBL3111959 | 0.79 | — | — | |
| SCHEMBL3731984 | 0.78 | — | — | |
| SCHEMBL3737361 | 0.78 | — | — | |
| SCHEMBL3737371 | 0.78 | — | — |
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-6143911-A | Catalyst useful for the polymerization of olefins | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 2000-11-07 | — | — | US | disclosed |
| EP-0748822-A2 | Catalyst component useful for the polymerization of olefins | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-12-18 | — | — | EP | disclosed |
| US-5561093-A | Catalyst useful for the polymerization of olefins | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-10-01 | — | — | US | disclosed |
| EP-0529908-A1 | Catalyst useful for the polymerization of olefin | MITSUBISHI CHEMICAL CORPORATION (JP) | 1993-03-03 | — | — | EP | disclosed |