⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11593309 | 0.51 | — | — | |
| SCHEMBL4622659 | 0.51 | — | — | |
| SCHEMBL24448995 | 0.50 | — | — | |
| SCHEMBL11304345 | 0.48 | — | — | |
| SCHEMBL5074259 | 0.47 | — | — | |
| SCHEMBL20267202 | 0.47 | — | — | |
| SCHEMBL21662214 | 0.44 | — | — | |
| SCHEMBL7221897 | 0.43 | — | — | |
| SCHEMBL166728 | 0.43 | — | — | |
| Calcium Bromide SCHEMBL25434470 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111902415-A | Pharmaceutical compounds | 大冢制药株式会社 | 2020-11-06 | — | — | CN | disclosed |