⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL3267900 | 0.87 | — | — | |
| Acetic Acid SCHEMBL30577413 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL29776478 | 0.78 | — | — | |
| Acetic Acid SCHEMBL1469783 | 0.76 | — | — | |
| Isopropylamine SCHEMBL8760333 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL6142886 | 0.76 | ALDH1A1 (0.35) | — | |
| Isopropyl Alcohol SCHEMBL28931811 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL22478 | 0.74 | — | — | |
| SCHEMBL8591536 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL1452102 | 0.74 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116848467-A | Photosensitive resin composition, cured film, and semiconductor device | 住友电木株式会社 | 2023-10-03 | — | — | CN | disclosed |