⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3088499 | 0.84 | THRA (0.31) | — | |
| SCHEMBL3091845 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL3084411 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL3078539 | 0.68 | HTT (0.38) | — | |
| SCHEMBL3087658 | 0.66 | CYP1A2 (0.35) | — | |
| SCHEMBL3082717 | 0.62 | LMNA (0.34) | — | |
| SCHEMBL3098415 | 0.62 | POLB (0.33) | — | |
| SCHEMBL27490282 | 0.62 | TP53 (0.44) | — | |
| SCHEMBL27561165 | 0.62 | TRPA1 (0.38) | — | |
| SCHEMBL3483331 | 0.62 | CA2 (0.33) | — |
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-8207134-B2 | Fused ring spiroketal derivative and use thereof as anti-diabetic drug | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-06-26 | — | — | US | disclosed |
| US-20100234609-A1 | FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-2048152-A1 | FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-04-15 | — | — | EP | disclosed |