⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17738705 | 0.81 | MC4R (0.32) | — | |
| SCHEMBL17739334 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL17738958 | 0.78 | GABRA1 (0.30) | — | |
| SCHEMBL17738720 | 0.77 | IDO1 (0.40) | — | |
| SCHEMBL17739390 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL17738734 | 0.75 | GABRA1 (0.32) | — | |
| SCHEMBL17739108 | 0.74 | GABRA1 (0.37) | — | |
| SCHEMBL17738265 | 0.74 | — | — | |
| SCHEMBL17738700 | 0.69 | IDO1 (0.51) | — | |
| SCHEMBL17738987 | 0.68 | IDO1 (0.39) | — |
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-2016071293-A2 | PHARMACEUTICAL COMPOUND | IOMET PHARMA LTD (GB) | 2016-05-12 | — | — | WO | disclosed |