⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12661476 | 0.94 | — | — | |
| SCHEMBL28095506 | 0.86 | — | — | |
| SCHEMBL28413233 | 0.74 | USP2 (0.36) | — | |
| SCHEMBL28413234 | 0.73 | USP2 (0.35) | — | |
| SCHEMBL7153955 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL17082701 | 0.68 | — | — | |
| SCHEMBL28508247 | 0.68 | — | — | |
| SCHEMBL8752278 | 0.68 | — | — | |
| SCHEMBL4285573 | 0.68 | — | — | |
| SCHEMBL4958644 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103732059-A | Nuclear hormone receptor modulators | ABBOTT LAB | 2014-04-16 | — | — | CN | disclosed |