⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11610580 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL11616025 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL11613733 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL11615511 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL259964 | 0.65 | — | — | |
| SCHEMBL11614693 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL11609786 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL11610855 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL6966484 | 0.63 | — | — | |
| SCHEMBL13154172 | 0.62 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4077924-A | Polyester fiber-rubber composites vulcanized with phosphinothioyl amino sulfides | MONSANTO COMPANY (US) | 1978-03-07 | — | — | US | disclosed |
| US-4065443-A | Vulcanization of rubber with phosphinothioyl amino sulfides | MONSANTO COMPANY (US) | 1977-12-27 | — | — | US | disclosed |