⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1767606 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL28147054 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL17513049 | 0.67 | NFKB1 (0.33) | — | |
| SCHEMBL308608 | 0.64 | — | — | |
| Formaldehyde SCHEMBL18321175 | 0.64 | — | — | |
| SCHEMBL16167226 | 0.61 | — | — | |
| SCHEMBL1057106 | 0.59 | — | — | |
| SCHEMBL12594905 | 0.59 | — | — | |
| SCHEMBL2860330 | 0.57 | — | — | |
| SCHEMBL17332077 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3310745-A1 | HYDROGENATION OF ALDEHYDE OR KETONE COMPOUNDS WITH FE/TRIDENTATE LIGANDS COMPLEXES | Firmenich SA (CH) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016202925-A1 | HYDROGENATION OF ALDEHYDE OR KETONE COMPOUNDS WITH FE/TRIDENTATE LIGANDS COMPLEXES | FIRMENICH SA (CH) | 2016-12-22 | — | — | WO | disclosed |