⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902631 | 0.69 | — | — | |
| SCHEMBL10763216 | 0.65 | CA1 (0.33) | — | |
| SCHEMBL4543855 | 0.63 | MAPT (0.41) | — | |
| SCHEMBL10751083 | 0.61 | CYP2D6 (0.39) | — | |
| SCHEMBL20969235 | 0.61 | — | — | |
| SCHEMBL20969192 | 0.61 | — | — | |
| SCHEMBL20969170 | 0.61 | — | — | |
| SCHEMBL20969171 | 0.61 | — | — | |
| SCHEMBL1399146 | 0.60 | — | — | |
| SCHEMBL2361864 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59164747-A | — | — | None | — | — | JP | disclosed |
| JP-S59164747-A | 5-(1-HYDROXYALKYL)-2-CYCLOPENTENONE DERIVATIVE, ITS PREPARATION AND DRUG CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | TEIJIN LTD | 1984-09-17 | — | — | JP | disclosed |