⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9098708 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL2440497 | 0.67 | TYR (0.33) | — | |
| SCHEMBL2537548 | 0.63 | — | — | |
| SCHEMBL2536908 | 0.61 | — | — | |
| SCHEMBL2536715 | 0.61 | PTGS2 (0.40) | — | |
| SCHEMBL2538323 | 0.58 | HCAR1 (0.33) | — | |
| SCHEMBL3464453 | 0.54 | — | — | |
| SCHEMBL955666 | 0.51 | — | — | |
| SCHEMBL4728287 | 0.49 | — | — | |
| SCHEMBL58401 | 0.48 | GABRA1 (0.33) | — |
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-20100324049-A1 | DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR | MSD K.K. (JP) | 2010-12-23 | — | — | US | disclosed |