⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18923094 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL2020314 | 0.79 | — | — | |
| SCHEMBL14942162 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL4930938 | 0.73 | — | — | |
| SCHEMBL20756083 | 0.70 | — | — | |
| SCHEMBL3265689 | 0.70 | — | — | |
| SCHEMBL13324863 | 0.70 | PHF8 (0.39) | — | |
| SCHEMBL1872567 | 0.69 | CHRM2 (0.31) | — | |
| SCHEMBL11038235 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL13359389 | 0.69 | PTGS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2776141-B1 | METHOD FOR ELIMINATING ACIDIC COMPOUNDS FROM A GASEOUS EFFLUENT USING AN ABSORBENT SOLUTION MADE FROM DIHYDROXYALKYLAMINES HAVING A SEVERE STERIC ENCUMBRANCE OF THE NITROGEN ATOM | IFP ENERGIES NOW (FR) | 2018-04-18 | — | — | EP | disclosed |