⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19719766 | 0.67 | — | — | |
| SCHEMBL22548630 | 0.59 | — | — | |
| SCHEMBL27253678 | 0.47 | — | — | |
| SCHEMBL12703772 | 0.44 | — | — | |
| SCHEMBL15987161 | 0.40 | — | — | |
| P-Xylene SCHEMBL659510 | 0.40 | ACHE (0.73) | — | |
| SCHEMBL10312313 | 0.40 | — | — | |
| Hexamethylbenzene SCHEMBL9936333 | 0.39 | — | — | |
| SCHEMBL4160459 | 0.36 | CYP1A2 (0.47) | — | |
| SCHEMBL21708434 | 0.36 | — | — |
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-2781521-A1 | NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME | Kowa Company, Ltd. (JP) | 2014-09-24 | — | — | EP | disclosed |