⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8532547 | 0.60 | — | — | |
| SCHEMBL8151779 | 0.60 | — | — | |
| SCHEMBL8164413 | 0.60 | — | — | |
| SCHEMBL8151729 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8534614 | 0.58 | — | — | |
| SCHEMBL8156860 | 0.56 | — | — | |
| SCHEMBL571577 | 0.47 | TSHR (0.43) | — | |
| SCHEMBL8151730 | 0.45 | — | — | |
| SCHEMBL31001026 | 0.45 | CYP1A2 (0.39) | — | |
| SCHEMBL3937216 | 0.42 | — | — |
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-5756417-A | PHOSPHOLANE RING CONTAINING ORGANOMETALLIC POLYMERIZATION CATALYST TO CATALYZE OLEFINICALLY UNSATURATED HYDROCARBONS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0717754-B1 | CATALYST COMPOSITIONS | SHELL INT RESEARCH (NL) | 1997-12-03 | — | — | EP | disclosed |
| EP-0733652-A1 | NOVEL OLEFIN POLYMERIZATION CATALYST AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1996-09-25 | — | — | EP | disclosed |
| EP-0638593-A1 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-02-15 | — | — | EP | disclosed |