⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4872930 | 0.79 | GABRR1 (0.30) | — | |
| SCHEMBL9339522 | 0.79 | GABRR1 (0.30) | — | |
| SCHEMBL15475232 | 0.78 | GABRR1 (0.45) | — | |
| SCHEMBL453340 | 0.76 | — | — | |
| SCHEMBL210761 | 0.76 | — | — | |
| SCHEMBL29684709 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL10887241 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL2852706 | 0.70 | GRIK1 (0.35) | — | |
| SCHEMBL2852703 | 0.70 | GRIK1 (0.35) | — | |
| SCHEMBL4969394 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0541395-B1 | Coating agents | TAKEMOTO OIL & FAT CO LTD (JP) | 1996-05-08 | — | — | EP | disclosed |
| US-5501904-A | POLYSILOXANE-VINYL GRAFT POLYMER | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1996-03-26 | — | — | US | disclosed |
| US-5405691-A | Polysiloxane-polyvinyl graft copolymer | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0541395-A1 | Coating agents | Takemoto Yushi Kabushiki Kaisha (JP) | 1993-05-12 | — | — | EP | disclosed |