⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17676045 | 0.79 | — | — | |
| SCHEMBL17676081 | 0.75 | — | — | |
| SCHEMBL17676043 | 0.74 | — | — | |
| SCHEMBL17676041 | 0.74 | — | — | |
| SCHEMBL17676044 | 0.68 | — | — | |
| SCHEMBL12453684 | 0.65 | — | — | |
| SCHEMBL17676046 | 0.63 | — | — | |
| SCHEMBL17675852 | 0.63 | — | — | |
| SCHEMBL17675824 | 0.63 | — | — | |
| SCHEMBL14424417 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9309191-B2 | Amidine compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-04-12 | — | — | US | disclosed |