⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17366426 | 0.76 | GCGR (0.41) | — | |
| SCHEMBL10017406 | 0.72 | — | — | |
| SCHEMBL245938 | 0.68 | MAPT (0.43) | — | |
| SCHEMBL17366427 | 0.67 | — | — | |
| Chloromethane SCHEMBL3670008 | 0.66 | — | — | |
| SCHEMBL7247277 | 0.66 | CYP3A4 (0.42) | — | |
| SCHEMBL14076169 | 0.65 | — | — | |
| SCHEMBL2240992 | 0.63 | RAB9A (0.30) | — | |
| SCHEMBL16924935 | 0.63 | RAB9A (0.32) | — | |
| SCHEMBL27838898 | 0.62 | NOTUM (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008025941-A2 | COMPOUNDS FOR IMAGING AND THERAPY | ISIS INNOVATION LIMITED (GB) | 2008-03-06 | — | — | WO | disclosed |