⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10619825 | 0.76 | — | — | |
| SCHEMBL891681 | 0.72 | — | — | |
| SCHEMBL622595 | 0.69 | TRPV1 (0.32) | — | |
| SCHEMBL2198883 | 0.69 | — | — | |
| SCHEMBL7138282 | 0.69 | — | — | |
| SCHEMBL3332382 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL11037372 | 0.67 | — | — | |
| SCHEMBL94448 | 0.67 | — | — | |
| SCHEMBL7040037 | 0.67 | — | — | |
| SCHEMBL9318011 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103788098-A | Azetidine and cyclobutane derivatives as JAK inhibitors | INCYTE CORP | 2014-05-14 | — | — | CN | disclosed |
| CN-103717586-A | Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes | AMGEN INC | 2014-04-09 | — | — | CN | disclosed |
| CN-102026999-B | Azetidine and cyclobutane derivatives as JAK inhibitors | INCYTE CORP | 2014-03-05 | — | — | CN | disclosed |
| CN-1030768-C | Primidine derivatives, process for preparing same and inhibitor for androgen | OTSUKA PHARMA CO LTD (JP) | 1996-01-24 | — | — | CN | disclosed |
| US-5420128-A | Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0503099-A1 | PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| CN-1060844-A | Pyrimidine derivatives, its method for making and inhibitor for androgen | OTSUKA PHARMA CO LTD (JP) | 1992-05-06 | — | — | CN | disclosed |