⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18117237 | 0.84 | — | — | |
| SCHEMBL13750027 | 0.73 | — | — | |
| SCHEMBL19622228 | 0.73 | — | — | |
| SCHEMBL16230233 | 0.73 | — | — | |
| SCHEMBL22268516 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL22331971 | 0.68 | SORT1 (0.33) | — | |
| SCHEMBL22000271 | 0.67 | — | — | |
| SCHEMBL7338965 | 0.67 | AKR1B1 (0.35) | — | |
| SCHEMBL3254909 | 0.66 | IGF1R (0.39) | — | |
| SCHEMBL14845931 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015071230-A1 | CATALYTIC HYDROGENATION OF NITRILES | BAYER CROPSCIENCE AG (DE) | 2015-05-21 | — | — | WO | disclosed |