⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25886945 | 0.89 | — | — | |
| SCHEMBL31194303 | 0.85 | GAA (0.33) | — | |
| SCHEMBL31194341 | 0.85 | MET (0.36) | — | |
| SCHEMBL25429298 | 0.84 | — | — | |
| SCHEMBL25886946 | 0.82 | — | — | |
| SCHEMBL31003477 | 0.82 | — | — | |
| SCHEMBL31194284 | 0.82 | — | — | |
| SCHEMBL25314844 | 0.80 | POLB (0.34) | — | |
| SCHEMBL17696227 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL24183774 | 0.78 | — | — |
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-20230234951-A1 | CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2023-07-27 | — | — | US | disclosed |
| US-20230234951-A1 | CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2023-07-27 | — | — | US | disclosed |