⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14966584 | 0.88 | S1PR4 (0.33) | — | |
| SCHEMBL14966395 | 0.88 | S1PR4 (0.30) | — | |
| SCHEMBL575342 | 0.86 | SHBG (0.33) | — | |
| SCHEMBL11122575 | 0.86 | SHBG (0.33) | — | |
| SCHEMBL8084484 | 0.82 | — | — | |
| SCHEMBL9183494 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL2997193 | 0.66 | CYP1A2 (0.34) | — | |
| Butane SCHEMBL28310168 | 0.65 | S1PR4 (0.47) | — | |
| SCHEMBL779870 | 0.64 | — | — | |
| SCHEMBL894500 | 0.63 | TSHR (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9505859-B2 | Process for producing polydienes | BRIDGESTONE CORPORATION (JP) | 2016-11-29 | — | — | US | disclosed |
| EP-2780381-B1 | PROCESS FOR PRODUCING POLYDIENES | BRIDGESTONE CORP (JP) | 2015-10-07 | — | — | EP | disclosed |
| US-20140303327-A1 | Process For Producing Polydienes | BRIDGESTONE CORPORATION (JP) | 2014-10-09 | — | — | US | disclosed |
| EP-2780381-A1 | PROCESS FOR PRODUCING POLYDIENES | Bridgestone Corporation (JP) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013075085-A1 | PROCESS FOR PRODUCING POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2013-05-23 | — | — | WO | disclosed |