⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10404726 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL8372867 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL28263457 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL28255663 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL18797853 | 0.81 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL28077594 | 0.80 | — | — | |
| Hydrogen Peroxide SCHEMBL27786199 | 0.80 | — | — | |
| SCHEMBL14634943 | 0.79 | HSD17B10 (0.32) | — | |
| SCHEMBL2449690 | 0.79 | ALDH1A1 (0.31) | — | |
| Pivalate SCHEMBL9113550 | 0.79 | 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-104619896-B | Acrylic fibre and manufacture method thereof and the fiber construct containing this fiber | 日本爱克兰工业株式会社 | 2016-08-24 | — | — | CN | disclosed |