⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456152 | 0.72 | — | — | |
| SCHEMBL13141017 | 0.72 | — | — | |
| SCHEMBL26860487 | 0.72 | — | — | |
| SCHEMBL28035357 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL27910344 | 0.71 | TP53 (0.53) | — | |
| SCHEMBL16605503 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL6027446 | 0.69 | — | — | |
| SCHEMBL8050553 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL72436 | 0.67 | — | — | |
| SCHEMBL25436076 | 0.67 | TSHR (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663227-A2 | DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS | Synta Pharmaceuticals Corporation (US) | 2006-06-07 | — | — | EP | claimed |
| US-20050203119-A1 | Dihydropyridine compounds for treating or preventing metabolic disorders | SYNTA PHARMACEUTICAL CORP. | 2005-09-15 | — | — | US | claimed |
| WO-2005025507-A2 | DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS | SYNTA PHAMACEUTICALS CORP. (US) | 2005-03-24 | — | — | WO | claimed |
| US-20050203119-A1 | Dihydropyridine compounds for treating or preventing metabolic disorders | SYNTA PHARMACEUTICAL CORP. | 2005-09-15 | — | — | US | disclosed |