⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3117771 | 0.75 | PIM1 (0.31) | — | |
| SCHEMBL10726068 | 0.71 | PIM1 (0.31) | — | |
| SCHEMBL2749122 | 0.71 | PIM1 (0.45) | — | |
| SCHEMBL14763163 | 0.71 | CDK9 (0.36) | — | |
| SCHEMBL4083214 | 0.69 | HCAR2 (0.36) | — | |
| SCHEMBL5084936 | 0.68 | CCNA2 (0.39) | — | |
| SCHEMBL3120919 | 0.68 | — | — | |
| SCHEMBL3120517 | 0.67 | — | — | |
| SCHEMBL2750543 | 0.67 | CCNB2 (0.39) | — | |
| SCHEMBL7217539 | 0.64 | PIK3CD (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |