⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20181308 | 1.00 | — | — | |
| SCHEMBL800846 | 1.00 | — | — | |
| SCHEMBL16106614 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL13385607 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL19771000 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL18905555 | 0.91 | CA2 (0.33) | — | |
| SCHEMBL31360426 | 0.91 | CA2 (0.33) | — | |
| SCHEMBL194541 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL12695269 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL12269417 | 0.86 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3856386-A1 | ALKYL ETHER AMINE FOAM CONTROL COMPOUNDS AND METHODS OF PROCESSING FOODSTUFFS | Dow Global Technologies LLC (US) | 2021-08-04 | — | — | EP | claimed |
| WO-2020068481-A1 | ALKYL ETHER AMINE FOAM CONTROL COMPOUNDS AND METHODS OF PROCESSING FOODSTUFFS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2020-04-02 | — | — | WO | claimed |
| WO-2018093580-A1 | TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |