⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7839306 | 0.85 | L3MBTL1 (0.31) | — | |
| SCHEMBL7842112 | 0.85 | — | — | |
| SCHEMBL6586163 | 0.84 | SCN9A (0.32) | — | |
| SCHEMBL8623028 | 0.84 | — | — | |
| SCHEMBL7841255 | 0.81 | — | — | |
| SCHEMBL8183820 | 0.80 | NTRK1 (0.30) | — | |
| SCHEMBL7829990 | 0.80 | TSHR (0.34) | — | |
| SCHEMBL8619876 | 0.80 | TRPV4 (0.33) | — | |
| SCHEMBL6674187 | 0.79 | F2RL3 (0.31) | — | |
| SCHEMBL9856872 | 0.78 | MAPT (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6199805-A | — | — | None | — | — | JP | disclosed |
| JP-H06199805-A | PRODUCTION OF @(3754/24)3-SUBSTITUTED PHENYL)PYRAZOLE DERIVATIVE | NIPPON NOHYAKU CO LTD | 1994-07-19 | — | — | JP | disclosed |