⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18998199 | 0.80 | — | — | |
| SCHEMBL1704306 | 0.73 | — | — | |
| SCHEMBL21762487 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL19415935 | 0.69 | — | — | |
| SCHEMBL12040342 | 0.69 | — | — | |
| SCHEMBL7988282 | 0.69 | — | — | |
| SCHEMBL16313109 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL8744941 | 0.69 | — | — | |
| SCHEMBL11865513 | 0.69 | — | — | |
| SCHEMBL1025368 | 0.69 | — | — |
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-9963439-B2 | Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) | 2018-05-08 | — | — | US | disclosed |