⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL964290 | 0.84 | — | — | |
| SCHEMBL967372 | 0.72 | — | — | |
| SCHEMBL22010381 | 0.68 | — | — | |
| SCHEMBL18778719 | 0.65 | CRBN (0.39) | — | |
| Water SCHEMBL27533110 | 0.58 | — | — | |
| SCHEMBL22010631 | 0.58 | — | — | |
| SCHEMBL28538943 | 0.58 | CRBN (0.44) | — | |
| SCHEMBL16605686 | 0.57 | CRBN (0.35) | — | |
| SCHEMBL11780972 | 0.56 | — | — | |
| Methyl Alcohol SCHEMBL28109851 | 0.56 | CRBN (0.81) | — |
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-20110009384-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-01-13 | — | — | US | disclosed |
| US-20080194617-A1 | Fused ring compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-14 | — | — | US | disclosed |