⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910860 | 0.73 | TP53 (0.30) | — | |
| SCHEMBL3182655 | 0.73 | — | — | |
| SCHEMBL19480787 | 0.69 | — | — | |
| SCHEMBL7019540 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL761168 | 0.67 | — | — | |
| SCHEMBL260160 | 0.67 | — | — | |
| SCHEMBL20003228 | 0.66 | FFAR3 (0.32) | — | |
| SCHEMBL9815690 | 0.65 | TP53 (0.50) | — | |
| SCHEMBL20134669 | 0.65 | — | — | |
| Formaldehyde SCHEMBL22134458 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483698-A | A kind of aqueous polyurethane multiple emulsion and preparation method thereof | UNIV GUANGDONG TECHNOLOGY | 2019-11-22 | — | — | CN | claimed |
| CN-110483698-A | A kind of aqueous polyurethane multiple emulsion and preparation method thereof | UNIV GUANGDONG TECHNOLOGY | 2019-11-22 | — | — | CN | disclosed |
| EP-0950674-A1 | Process for the preparation of thermoplastic polyurethanes | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-20 | — | — | EP | disclosed |