⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17277100 | 0.70 | — | — | |
| SCHEMBL17277099 | 0.70 | — | — | |
| SCHEMBL8074837 | 0.67 | EPHX1 (0.33) | — | |
| SCHEMBL11250288 | 0.63 | — | — | |
| SCHEMBL7056694 | 0.62 | — | — | |
| SCHEMBL3999046 | 0.61 | — | — | |
| SCHEMBL17276921 | 0.61 | — | — | |
| SCHEMBL17276922 | 0.61 | — | — | |
| SCHEMBL16701120 | 0.60 | — | — | |
| SCHEMBL16730723 | 0.59 | ALDH1A1 (0.30) | — |
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-8012641-A | — | — | None | — | — | JP | disclosed |
| JP-H0812641-A | SYN-2,4-PENTANEDIOL DERIVATIVE AND ITS PRODUCTION | K I KASEI KK | 1996-01-16 | — | — | JP | disclosed |