⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3978891 | 0.83 | FFAR3 (0.31) | — | |
| SCHEMBL738792 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12348845 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL762289 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL15116850 | 0.67 | ALDH1A1 (0.32) | — | |
| Acetone SCHEMBL11322589 | 0.66 | LMNA (0.38) | — | |
| SCHEMBL15116846 | 0.66 | DGAT1 (0.38) | — | |
| SCHEMBL15116859 | 0.66 | DGAT1 (0.38) | — | |
| SCHEMBL13674735 | 0.62 | — | — | |
| SCHEMBL8917215 | 0.62 | DGAT1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8378119-B2 | Method for producing asymmetric tetrasubstituted carbon atom-containing compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-02-19 | — | — | US | disclosed |
| US-20120172605-A1 | METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-07-05 | — | — | US | disclosed |
| US-8138352-B2 | Method for producing asymmetric tetrasubstituted carbon atom-containing compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20110144339-A1 | METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-06-16 | — | — | US | disclosed |