⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900766 | 0.81 | DRD1 (0.30) | — | |
| SCHEMBL16974733 | 0.80 | TLR8 (0.35) | — | |
| SCHEMBL900876 | 0.79 | KMT2A (0.34) | — | |
| SCHEMBL1066799 | 0.78 | PDE2A (0.33) | — | |
| SCHEMBL1067719 | 0.76 | — | — | |
| SCHEMBL403016 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL1065162 | 0.76 | — | — | |
| SCHEMBL1067896 | 0.74 | PDE4B (0.36) | — | |
| SCHEMBL1062938 | 0.74 | PDE4B (0.36) | — | |
| SCHEMBL534114 | 0.73 | KMT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2892890-B1 | PHARMACOLOGICALLY ACTIVE COMPOUNDS | CANCER RES TECH LTD (GB) | 2017-11-22 | — | — | EP | disclosed |
| CN-105980388-A | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2016-09-28 | — | — | CN | disclosed |