⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31099202 | 0.67 | — | — | |
| SCHEMBL31099199 | 0.67 | — | — | |
| SCHEMBL31099212 | 0.60 | — | — | |
| SCHEMBL31099205 | 0.59 | — | — | |
| SCHEMBL31099187 | 0.57 | — | — | |
| SCHEMBL21051127 | 0.56 | — | — | |
| SCHEMBL5081324 | 0.53 | ALDH1A1 (0.32) | — | |
| SCHEMBL4413384 | 0.49 | — | — | |
| SCHEMBL15258899 | 0.49 | — | — | |
| SCHEMBL3459830 | 0.49 | — | — |
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-3011027-A | — | — | None | — | — | JP | disclosed |
| JP-H0311027-A | FLUORINE-CONTAINING COMPOUND | KURARAY CO LTD | 1991-01-18 | — | — | JP | disclosed |