⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17278383 | 0.93 | — | — | |
| SCHEMBL17280431 | 0.89 | — | — | |
| SCHEMBL17280432 | 0.89 | — | — | |
| SCHEMBL17267256 | 0.88 | CA1 (0.30) | — | |
| SCHEMBL19754902 | 0.85 | — | — | |
| SCHEMBL17277967 | 0.84 | CYP2C9 (0.31) | — | |
| SCHEMBL17285602 | 0.84 | RARG (0.30) | — | |
| SCHEMBL17282313 | 0.83 | — | — | |
| SCHEMBL17280449 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL17282314 | 0.82 | CYP1A2 (0.31) | — |
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-9221850-B2 | Monophosphite ligands having a tert-butyloxycarbonyl group | EVONIK INDUSTRIES AG (DE) | 2015-12-29 | — | — | US | disclosed |
| US-20150336988-A1 | NOVEL MONOPHOSPHITE LIGANDS HAVING A TERT-BUTYLOXYCARBONYL GROUP | EVONIK INDUSTRIES AG (DE) | 2015-11-26 | — | — | US | disclosed |