⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22444432 | 0.84 | SPHK2 (0.41) | — | |
| SCHEMBL22444540 | 0.82 | SPHK2 (0.45) | — | |
| SCHEMBL22444422 | 0.82 | SPHK2 (0.45) | — | |
| SCHEMBL11576279 | 0.74 | CES2 (0.36) | — | |
| SCHEMBL17781334 | 0.73 | — | — | |
| SCHEMBL658040 | 0.72 | — | — | |
| SCHEMBL10459343 | 0.70 | — | — | |
| SCHEMBL30208232 | 0.67 | CES2 (0.31) | — | |
| SCHEMBL854825 | 0.65 | CES2 (0.35) | — | |
| SCHEMBL27530039 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113574041-B | Bisphenol production method and polycarbonate resin production method | 三菱化学株式会社 | 2023-10-13 | — | — | CN | disclosed |
| CN-113574041-A | Method for producing bisphenol and method for producing polycarbonate resin | 三菱化学株式会社 | 2021-10-29 | — | — | CN | disclosed |
| WO-2020189201-A1 | METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN | 三菱ケミカル株式会社 | 2020-09-24 | — | — | WO | disclosed |