⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7733172 | 1.00 | — | — | |
| SCHEMBL7733056 | 1.00 | — | — | |
| SCHEMBL7739375 | 1.00 | — | — | |
| SCHEMBL7733243 | 1.00 | — | — | |
| SCHEMBL7741579 | 0.97 | — | — | |
| SCHEMBL29004712 | 0.90 | — | — | |
| SCHEMBL6409752 | 0.83 | — | — | |
| SCHEMBL493848 | 0.75 | — | — | |
| SCHEMBL7717442 | 0.73 | — | — | |
| SCHEMBL10490386 | 0.73 | CYP1A2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410748-B1 | Alicycli c group-containing monomer | KABUSHIKI KAISHA TOSHIBA (JP) | 2002-06-25 | — | — | US | disclosed |
| US-6291129-B1 | LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS | KABUSHIKI KAISHA TOSHIBA (JP) | 2001-09-18 | — | — | US | disclosed |
| CN-1130670-A | Liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition | CHISSO CORP (JP) | 1996-09-11 | — | — | CN | disclosed |