⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1017840 | 0.79 | — | — | |
| SCHEMBL7116355 | 0.78 | HSD17B10 (0.44) | — | |
| SCHEMBL1016408 | 0.77 | HSD17B10 (0.30) | — | |
| SCHEMBL1017842 | 0.77 | — | — | |
| SCHEMBL1017550 | 0.76 | — | — | |
| SCHEMBL1016409 | 0.75 | TRPA1 (0.35) | — | |
| SCHEMBL26748975 | 0.75 | TRPA1 (0.35) | — | |
| SCHEMBL1019234 | 0.75 | CES2 (0.32) | — | |
| SCHEMBL8466765 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL4797472 | 0.74 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3814331-B9 | NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY | ORSOBIO INC (US) | 2023-08-09 | — | — | EP | disclosed |