⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9721741 | 0.82 | CA2 (0.32) | — | |
| SCHEMBL27548666 | 0.82 | — | — | |
| SCHEMBL3335816 | 0.82 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL1085785 | 0.80 | — | — | |
| SCHEMBL2309904 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL1086381 | 0.79 | PSMB1 (0.31) | — | |
| SCHEMBL3717460 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL5919599 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL2483464 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL31411897 | 0.76 | ALDH1A1 (0.42) | — |
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-0958817-A1 | COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS | SANKYO COMPANY LIMITED (JP) | 1999-11-24 | — | — | EP | disclosed |