⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9493578 | 0.79 | — | — | |
| SCHEMBL13403160 | 0.77 | — | — | |
| SCHEMBL11436932 | 0.75 | ALOX15 (0.35) | — | |
| SCHEMBL13320137 | 0.75 | — | — | |
| SCHEMBL14323747 | 0.75 | ALOX15 (0.35) | — | |
| SCHEMBL14323745 | 0.75 | ALOX15 (0.35) | — | |
| SCHEMBL9508196 | 0.70 | — | — | |
| SCHEMBL4754567 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL7117626 | 0.70 | — | — | |
| SCHEMBL25199379 | 0.67 | ALDH1A1 (0.36) | — |
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-53135915-A | — | — | None | — | — | JP | disclosed |
| JP-S53135915-A | NEW BETA,GAMMA-UNSATURATED ALDEHYDE AND PERFUME CONTAINING THE SAME | NIPPON OIL & FATS CO LTD | 1978-11-28 | — | — | JP | disclosed |