⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005079 | 0.67 | OPRM1 (0.32) | — | |
| SCHEMBL16313513 | 0.67 | — | — | |
| SCHEMBL21900394 | 0.57 | TERT (0.32) | — | |
| SCHEMBL10282883 | 0.55 | — | — | |
| SCHEMBL14724799 | 0.55 | — | — | |
| SCHEMBL8639636 | 0.54 | GABRP (0.34) | — | |
| SCHEMBL13090964 | 0.53 | — | — | |
| SCHEMBL20004503 | 0.53 | — | — | |
| SCHEMBL14730590 | 0.52 | — | — | |
| SCHEMBL10305260 | 0.52 | — | — |
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-2018055316-A1 | COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-29 | — | — | WO | disclosed |