⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8618473 | 0.90 | — | — | |
| SCHEMBL8617475 | 0.87 | MCHR1 (0.34) | — | |
| SCHEMBL8940932 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL8303808 | 0.86 | RAB9A (0.31) | — | |
| SCHEMBL8461921 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL8301862 | 0.84 | — | — | |
| SCHEMBL8940922 | 0.83 | NPC1 (0.30) | — | |
| SCHEMBL8307541 | 0.83 | BDKRB1 (0.32) | — | |
| SCHEMBL8613647 | 0.80 | F2 (0.32) | — | |
| SCHEMBL8307021 | 0.78 | PDE4B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0728756-A1 | PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1996-08-28 | — | — | EP | disclosed |