⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9807704 | 0.91 | MTNR1A (0.42) | — | |
| SCHEMBL4420636 | 0.82 | MTNR1A (0.56) | — | |
| SCHEMBL11275440 | 0.79 | MTNR1A (0.49) | — | |
| SCHEMBL31072091 | 0.79 | BRD4 (0.41) | — | |
| SCHEMBL2634531 | 0.77 | — | — | |
| SCHEMBL23857880 | 0.76 | THRB (0.38) | — | |
| SCHEMBL658632 | 0.76 | MTNR1A (0.50) | — | |
| SCHEMBL9807691 | 0.73 | TLR4 (0.44) | — | |
| SCHEMBL30595323 | 0.73 | MTNR1A (0.77) | — | |
| SCHEMBL1029693 | 0.73 | MTNR1A (0.77) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3148975-A1 | NOVEL COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-04-05 | — | — | EP | disclosed |
| CN-106536489-A | Novel compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2017-03-22 | — | — | CN | disclosed |
| EP-2499145-B1 | SPIRO-OXINDOLE MDM2 ANTAGONISTS | UNIV MICHIGAN (US) | 2016-01-27 | — | — | EP | disclosed |
| WO-2015180612-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-12-03 | — | — | WO | disclosed |