⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7715359 | 0.59 | CHRM5 (0.37) | — | |
| SCHEMBL12964285 | 0.59 | — | — | |
| SCHEMBL15704762 | 0.59 | SIGMAR1 (0.42) | — | |
| SCHEMBL29284087 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL14943590 | 0.55 | CYP1A2 (0.34) | — | |
| SCHEMBL2421394 | 0.55 | — | — | |
| SCHEMBL30226604 | 0.53 | KDM5B (0.41) | — | |
| SCHEMBL2384377 | 0.52 | — | — | |
| SCHEMBL15124818 | 0.51 | SMARCA2 (0.48) | — | |
| SCHEMBL14837529 | 0.49 | — | — |
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-2010097332-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |