⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2652895 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL5518912 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL3838541 | 0.64 | KCNN4 (0.31) | — | |
| SCHEMBL23873160 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL27873772 | 0.63 | — | — | |
| SCHEMBL2362852 | 0.63 | — | — | |
| SCHEMBL5518908 | 0.63 | — | — | |
| SCHEMBL5671157 | 0.63 | NOS1 (0.33) | — | |
| SCHEMBL16295346 | 0.62 | — | — | |
| SCHEMBL508211 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |