⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8777336 | 0.87 | — | — | |
| SCHEMBL168739 | 0.83 | CA1 (0.30) | — | |
| SCHEMBL6662429 | 0.80 | CHRM1 (0.39) | — | |
| SCHEMBL657870 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL24902 | 0.74 | CA2 (0.54) | — | |
| SCHEMBL28349984 | 0.74 | CA2 (0.39) | — | |
| SCHEMBL1421190 | 0.74 | CA2 (0.36) | — | |
| SCHEMBL22773850 | 0.73 | — | — | |
| SCHEMBL20695480 | 0.71 | — | — | |
| SCHEMBL23036028 | 0.71 | CA2 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4365086-A | CURING AGENTS FOR THERMOPLASTIC ELASTOMERS | PENNWALT CORPORATION (US) | 1982-12-21 | — | — | US | disclosed |
| US-4328360-A | VULCANIZING AGENT FOR THERMOPLASTIC RESINS | PENNWALT CORPORATION (US) | 1982-05-04 | — | — | US | disclosed |
| US-4052543-A | VULCANIZABLE AND VULCANIZED COMPOSITIONS CONTAINING POLYPEROXIDE | PENNWALT CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |