⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24811787 | 0.84 | PPARG (0.35) | — | |
| SCHEMBL24675436 | 0.84 | PPARG (0.35) | — | |
| SCHEMBL24676272 | 0.84 | PPARG (0.35) | — | |
| SCHEMBL24675435 | 0.84 | PPARG (0.35) | — | |
| SCHEMBL24793865 | 0.79 | PPARG (0.36) | — | |
| SCHEMBL24812169 | 0.78 | BCAT1 (0.30) | — | |
| SCHEMBL23018786 | 0.77 | TRPV1 (0.32) | — | |
| SCHEMBL17471484 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL15447663 | 0.77 | PPARG (0.39) | — | |
| SCHEMBL24676039 | 0.76 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220416178-A1 | COMPOSITION, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS | IDEMITSU KOSAN CO.,LTD. (JP) | 2022-12-29 | — | — | US | disclosed |