⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8066999 | 0.60 | — | — | |
| SCHEMBL534980 | 0.51 | HSD17B10 (0.43) | — | |
| SCHEMBL786141 | 0.49 | KDM4E (0.51) | — | |
| SCHEMBL13474837 | 0.48 | HSD17B3 (0.37) | — | |
| SCHEMBL7746309 | 0.48 | MAPK1 (0.52) | — | |
| SCHEMBL7747599 | 0.48 | MAPK1 (0.52) | — | |
| SCHEMBL29516707 | 0.48 | — | — | |
| SCHEMBL18121599 | 0.47 | TSHR (0.50) | — | |
| SCHEMBL6717997 | 0.47 | — | — | |
| SCHEMBL535005 | 0.47 | LMNA (0.46) | — |
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-3512843-B1 | PLANT GROWTH REGULATOR COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-10-20 | — | — | EP | disclosed |