⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4213559 | 0.73 | TTR (0.33) | — | |
| SCHEMBL3471329 | 0.69 | — | — | |
| SCHEMBL4038167 | 0.69 | — | — | |
| SCHEMBL1114317 | 0.69 | — | — | |
| SCHEMBL19070151 | 0.69 | — | — | |
| SCHEMBL3475167 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL3472853 | 0.67 | — | — | |
| SCHEMBL3474488 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL8699912 | 0.63 | NOS3 (0.31) | — | |
| SCHEMBL13167841 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-5527763-A | HIGHLY SAFE TO CROP PLANTS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0581960-A1 | PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-02-09 | — | — | EP | disclosed |