⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30736102 | 0.81 | — | — | |
| SCHEMBL177744 | 0.81 | — | — | |
| SCHEMBL1408599 | 0.80 | CES2 (0.58) | — | |
| Iodide SCHEMBL28203944 | 0.79 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL4201173 | 0.79 | ALDH1A1 (0.59) | — | |
| Bromide SCHEMBL17845857 | 0.79 | ALDH1A1 (0.59) | — | |
| SCHEMBL9461486 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL28478481 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL4378933 | 0.77 | ALDH1A1 (0.57) | — | |
| SCHEMBL14769643 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2844678-A1 | POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY | Bridgestone Corporation (JP) | 2015-03-11 | — | — | EP | disclosed |
| CN-104364275-A | Polydienes and diene copolymers having organophosphine functionality | BRIDGESTONE CORP | 2015-02-18 | — | — | CN | disclosed |
| WO-2013166124-A1 | POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY | BRIDGESTONE CORPORATION (JP) | 2013-11-07 | — | — | WO | disclosed |