⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29106396 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL3113252 | 0.74 | LMNA (0.46) | — | |
| SCHEMBL31240205 | 0.74 | LMNA (0.46) | — | |
| Hydrochloric Acid SCHEMBL28513109 | 0.72 | LMNA (0.45) | — | |
| SCHEMBL29127599 | 0.72 | — | — | |
| SCHEMBL29257097 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL28979555 | 0.72 | BCAT2 (0.44) | — | |
| SCHEMBL29005178 | 0.71 | — | — | |
| SCHEMBL29162098 | 0.70 | KDM4E (0.40) | — | |
| Hydrochloric Acid SCHEMBL29005070 | 0.69 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118355004-A | Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives | 勃林格殷格翰动物保健有限公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |