⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7848073 | 0.71 | — | — | |
| SCHEMBL16357092 | 0.64 | — | — | |
| SCHEMBL9874604 | 0.55 | — | — | |
| SCHEMBL10453215 | 0.55 | — | — | |
| SCHEMBL3411630 | 0.55 | — | — | |
| SCHEMBL878165 | 0.55 | — | — | |
| SCHEMBL19734963 | 0.53 | — | — | |
| SCHEMBL11187550 | 0.53 | — | — | |
| SCHEMBL9660575 | 0.51 | — | — | |
| SCHEMBL9797950 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012066578-A2 | SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) | 2012-05-24 | — | — | WO | disclosed |