⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27476605 | 1.00 | — | — | |
| SCHEMBL13952857 | 0.93 | — | — | |
| SCHEMBL104991 | 0.93 | — | — | |
| SCHEMBL14544269 | 0.93 | — | — | |
| SCHEMBL21782567 | 0.93 | — | — | |
| SCHEMBL19322788 | 0.93 | — | — | |
| SCHEMBL20665906 | 0.93 | — | — | |
| SCHEMBL10928090 | 0.91 | — | — | |
| SCHEMBL17771610 | 0.86 | — | — | |
| Acetic Acid SCHEMBL3815500 | 0.83 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115698114-A | Viscoelastic elastomer polyurethane foam, method for the production thereof and use thereof | 巴斯夫欧洲公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-105339440-A | Inks | FUJIFILM IMAGING COLORANTS INC | 2016-02-17 | — | — | CN | disclosed |
| CN-105339444-A | Printing method | FUJIFILM IMAGING COLORANTS INC | 2016-02-17 | — | — | CN | disclosed |
| CN-103443217-B | ink and printing process | FUJIFILM IMAGING COLORANTS, INC. (US) | 2016-01-20 | — | — | CN | disclosed |