⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18525825 | 0.77 | HPGD (0.32) | — | |
| SCHEMBL27375776 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL18878131 | 0.74 | — | — | |
| SCHEMBL20030727 | 0.73 | CYP4F2 (0.31) | — | |
| SCHEMBL18518515 | 0.70 | — | — | |
| SCHEMBL28418069 | 0.67 | CDC25A (0.33) | — | |
| SCHEMBL21496040 | 0.67 | — | — | |
| SCHEMBL13599707 | 0.67 | CDC25A (0.33) | — | |
| SCHEMBL27767541 | 0.67 | CDC25A (0.34) | — | |
| SCHEMBL64718 | 0.67 | CDC25A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018095920-A1 | COPOLYMERS AND USE THEREOF IN CLEANING-AGENT COMPOSITIONS | CLARIANT INTERNATIONAL LTD (CH) | 2018-05-31 | — | — | WO | disclosed |