⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8571684 | 0.83 | CES1 (0.47) | — | |
| Carbon Tetrachloride SCHEMBL28181271 | 0.78 | HSD17B10 (0.39) | — | |
| SCHEMBL8509963 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL10051721 | 0.75 | HSD17B10 (0.38) | — | |
| SCHEMBL422161 | 0.75 | — | — | |
| SCHEMBL787874 | 0.73 | — | — | |
| SCHEMBL1988568 | 0.73 | — | — | |
| SCHEMBL4986813 | 0.73 | HSD17B10 (0.36) | — | |
| SCHEMBL28686741 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL15087186 | 0.71 | THRB (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 |
|---|---|---|---|---|---|---|---|
| US-20230183786-A1 | METHODS FOR IDENTIFYING AND MODULATING CO-OCCURANT CELLULAR PHENOTYPES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2023-06-15 | — | — | US | disclosed |