⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10278309 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL13368316 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL10296536 | 1.00 | — | — | |
| SCHEMBL29282073 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL13368176 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL24971583 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL12422425 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL8329831 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL14441515 | 1.00 | NOS3 (0.48) | — | |
| SCHEMBL4280209 | 0.97 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9238667-B2 | Rhodium catalyst and method for producing amine compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-19 | — | — | US | disclosed |
| US-20150051416-A1 | RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND | SPERA PHARMA, INC. (JP) | 2015-02-19 | — | — | US | disclosed |