⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28570575 | 0.98 | CYP1A2 (0.30) | — | |
| SCHEMBL25401844 | 0.79 | — | — | |
| SCHEMBL14555815 | 0.77 | — | — | |
| SCHEMBL19012791 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL24861541 | 0.74 | — | — | |
| SCHEMBL14555820 | 0.73 | — | — | |
| SCHEMBL13934808 | 0.73 | — | — | |
| SCHEMBL12807740 | 0.72 | AOC1 (0.34) | — | |
| SCHEMBL20613110 | 0.72 | — | — | |
| SCHEMBL26958759 | 0.68 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-1554286-B1 | FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-27 | — | — | EP | disclosed |