⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9798228 | 0.67 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL11866413 | 0.67 | KCNH2 (0.37) | — | |
| SCHEMBL11335612 | 0.67 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL13664673 | 0.66 | PDE2A (0.33) | — | |
| SCHEMBL20320648 | 0.64 | NOS2 (0.36) | — | |
| SCHEMBL30842045 | 0.64 | — | — | |
| SCHEMBL8584511 | 0.63 | HCAR2 (0.41) | — | |
| SCHEMBL92739 | 0.63 | KCNH2 (0.46) | — | |
| SCHEMBL14698919 | 0.62 | MEN1 (0.33) | — | |
| SCHEMBL11412248 | 0.62 | SMN1; SMN2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997023471-A1 | 5-DIFLUOROMETHOXY-3-ARYL-1,2,4-THIADIAZOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEMATICIDE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-07-03 | — | — | WO | disclosed |