⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9719568 | 0.87 | CYP1A2 (0.39) | — | |
| SCHEMBL9450873 | 0.84 | — | — | |
| SCHEMBL19339202 | 0.79 | DAO (0.33) | — | |
| SCHEMBL28016525 | 0.77 | — | — | |
| SCHEMBL8963347 | 0.75 | ESR2 (0.41) | — | |
| SCHEMBL8963340 | 0.75 | ESR2 (0.41) | — | |
| SCHEMBL8398837 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL23713595 | 0.69 | — | — | |
| SCHEMBL17868372 | 0.67 | — | — | |
| SCHEMBL867301 | 0.67 | — | — |
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-5171356-A | Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation | ICI AMERICAS INC. (US) | 1992-12-15 | — | — | US | disclosed |