⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7369178 | 0.97 | — | — | |
| SCHEMBL187115 | 0.72 | — | — | |
| SCHEMBL28374614 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL8769950 | 0.71 | — | — | |
| SCHEMBL9712597 | 0.71 | — | — | |
| SCHEMBL7363326 | 0.71 | — | — | |
| SCHEMBL2833673 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2833674 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2833644 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL730599 | 0.71 | TRPA1 (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-106574099-B | Hydrophilic material comprising sulfonic acid based copolymer and amino resins | 三井化学株式会社 | 2019-06-21 | — | — | CN | disclosed |