⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10924674 | 0.97 | EPHX1 (0.50) | — | |
| SCHEMBL2524733 | 0.92 | — | — | |
| SCHEMBL215414 | 0.80 | — | — | |
| SCHEMBL11446254 | 0.80 | — | — | |
| SCHEMBL29260293 | 0.79 | EPHX1 (0.47) | — | |
| SCHEMBL12461690 | 0.78 | — | — | |
| SCHEMBL10623767 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL15271509 | 0.76 | EPHX1 (0.54) | — | |
| SCHEMBL11704740 | 0.76 | EPHX1 (0.54) | — | |
| SCHEMBL15271803 | 0.76 | EPHX1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8729203-B2 | Polymer composition | CONTAMAC LIMITED (GB) | 2014-05-20 | — | — | US | disclosed |
| EP-2427509-A1 | POLYMER COMPOSITION | Contamac Limited (GB) | 2012-03-14 | — | — | EP | disclosed |
| US-20120053313-A1 | POLYMER COMPOSITION | CONTAMAC LIMITED (GB) | 2012-03-01 | — | — | US | disclosed |
| WO-2010128266-A1 | POLYMER COMPOSITION | CONTAMAC LIMITED (GB) | 2010-11-11 | — | — | WO | disclosed |