⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22714108 | 0.81 | CTSA (0.34) | — | |
| SCHEMBL28198850 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL18614743 | 0.74 | MPI (0.36) | — | |
| SCHEMBL6356746 | 0.70 | — | — | |
| SCHEMBL28177293 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL4424100 | 0.69 | — | — | |
| SCHEMBL27804854 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL28622490 | 0.69 | BTN3A1 (0.39) | — | |
| SCHEMBL27909864 | 0.67 | CTSA (0.36) | — | |
| SCHEMBL28212721 | 0.67 | BTN3A1 (0.38) | — |
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-3347479-A1 | ENZYMATIC PRODUCTION OF AN ACYL PHOSPHATE FROM A 2-HYDROXYALDEHYDE | Scientist of Fortune S.A. (LU) | 2018-07-18 | — | — | EP | disclosed |
| WO-2017042254-A1 | ENZYMATIC PRODUCTION OF AN ACYL PHOSPHATE FROM A 2-HYDROXYALDEHYDE | SCIENTIST OF FORTUNE S.A. (LU) | 2017-03-16 | — | — | WO | disclosed |