⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11366815 | 0.82 | HSPA5 (0.33) | — | |
| SCHEMBL10032963 | 0.76 | PNMT (0.44) | — | |
| SCHEMBL2616314 | 0.76 | MGLL (0.42) | — | |
| SCHEMBL10175168 | 0.73 | TAAR1 (0.48) | — | |
| SCHEMBL30050643 | 0.73 | CYP2A6 (0.31) | — | |
| SCHEMBL409191 | 0.73 | CYP2A6 (0.31) | — | |
| SCHEMBL12245650 | 0.71 | TAAR1 (0.48) | — | |
| SCHEMBL6242080 | 0.71 | IDO1 (0.50) | — | |
| SCHEMBL29957198 | 0.71 | TAAR1 (0.46) | — | |
| SCHEMBL29953492 | 0.71 | TAAR1 (0.48) | — |
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-2012007088-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | disclosed |