⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL709139 | 0.72 | — | — | |
| SCHEMBL1934967 | 0.68 | — | — | |
| SCHEMBL10696165 | 0.68 | — | — | |
| SCHEMBL4710658 | 0.65 | — | — | |
| SCHEMBL4743548 | 0.65 | — | — | |
| SCHEMBL2357920 | 0.61 | — | — | |
| SCHEMBL1567268 | 0.60 | — | — | |
| SCHEMBL9522062 | 0.60 | — | — | |
| SCHEMBL276430 | 0.59 | — | — | |
| SCHEMBL20767468 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190071407-A1 | ISOXAZOLINE DERIVATIVES AS INSECTICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2019-03-07 | — | — | US | disclosed |
| CN-1875271-A | Treatment of neuropathic pain with neuropeptide FF receptor 2 agonists | ACADIA PHARM INC (US) | 2006-12-06 | — | — | CN | disclosed |