⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6635586 | 1.00 | — | — | |
| SCHEMBL5181420 | 0.81 | — | — | |
| SCHEMBL157478 | 0.75 | — | — | |
| SCHEMBL8031153 | 0.75 | — | — | |
| SCHEMBL322175 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5152368 | 0.72 | — | — | |
| SCHEMBL1153665 | 0.72 | — | — | |
| Fluoride SCHEMBL5015784 | 0.72 | — | — | |
| Water SCHEMBL2817750 | 0.72 | — | — | |
| SCHEMBL1371659 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105442310-A | Softener used for finishing after dyeing and finishing | WUXI KELAIXIN ELECTROMECHANICAL MFG CO LTD | 2016-03-30 | — | — | CN | disclosed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |