⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5031049 | 0.72 | NPC1 (0.31) | — | |
| SCHEMBL28713054 | 0.72 | NPC1 (0.35) | — | |
| SCHEMBL28700603 | 0.70 | NPC1 (0.39) | — | |
| SCHEMBL129301 | 0.70 | — | — | |
| SCHEMBL1734255 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL1683314 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL28711227 | 0.67 | NPC1 (0.31) | — | |
| SCHEMBL30338420 | 0.66 | — | — | |
| SCHEMBL28963148 | 0.65 | CA1 (0.36) | — | |
| SCHEMBL3755419 | 0.65 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113292772-B | Accelerators for vulcanization of rubbery polymers | 固特异轮胎和橡胶公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-113667194-B | Pneumatic tire | 固特异轮胎和橡胶公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-111647206-A | Pneumatic tire | 固特异轮胎和橡胶公司 | 2020-09-11 | — | — | CN | disclosed |