⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19346351 | 0.81 | — | — | |
| SCHEMBL10949001 | 0.81 | — | — | |
| SCHEMBL10949004 | 0.81 | — | — | |
| SCHEMBL13862437 | 0.80 | — | — | |
| SCHEMBL13893573 | 0.77 | — | — | |
| SCHEMBL295247 | 0.77 | — | — | |
| SCHEMBL295248 | 0.77 | — | — | |
| SCHEMBL8014797 | 0.76 | — | — | |
| SCHEMBL3821174 | 0.75 | — | — | |
| SCHEMBL8918705 | 0.75 | — | — |
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-2240452-B1 | 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES | INTELLIKINE LLC (US) | 2019-05-29 | — | — | EP | disclosed |
| EP-3135668-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |