⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16302147 | 0.86 | CRBN (0.31) | — | |
| SCHEMBL13539597 | 0.85 | CNR1 (0.34) | — | |
| SCHEMBL2209531 | 0.83 | — | — | |
| SCHEMBL12432120 | 0.81 | — | — | |
| SCHEMBL2205855 | 0.81 | — | — | |
| SCHEMBL879837 | 0.80 | CYP19A1 (0.32) | — | |
| SCHEMBL2208137 | 0.76 | NPSR1 (0.32) | — | |
| SCHEMBL2208742 | 0.75 | — | — | |
| SCHEMBL16358641 | 0.75 | IDO1 (0.36) | — | |
| SCHEMBL879614 | 0.74 | TAAR1 (0.41) | — |
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-7981904-B2 | Acetyl CoA carboxylase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-19 | — | — | US | disclosed |
| US-20090253725-A1 | ACETYL CoA CARBOXYLASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-08 | — | — | US | disclosed |