⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6889181 | 0.85 | — | — | |
| SCHEMBL734610 | 0.70 | ALDH1A3 (0.32) | — | |
| SCHEMBL2211653 | 0.68 | — | — | |
| SCHEMBL2210513 | 0.64 | — | — | |
| SCHEMBL15468476 | 0.62 | ICAM1 (0.30) | — | |
| SCHEMBL1057083 | 0.62 | — | — | |
| SCHEMBL737196 | 0.60 | ABCB1 (0.31) | — | |
| SCHEMBL16803983 | 0.60 | ABCB1 (0.31) | — | |
| SCHEMBL8256448 | 0.59 | MAPT (0.31) | — | |
| SCHEMBL10035662 | 0.57 | — | — |
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-2000051973-A1 | CYCLOBUTENE-3,4-DIONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE | SANOFI-SYNTHELABO (FR) | 2000-09-08 | — | — | WO | disclosed |