⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13038554 | 0.90 | ALDH1A1 (0.34) | — | |
| SCHEMBL18649218 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL22309516 | 0.70 | — | — | |
| SCHEMBL22825416 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL10029427 | 0.69 | HRH3 (0.37) | — | |
| SCHEMBL13566591 | 0.68 | L3MBTL1 (0.30) | — | |
| SCHEMBL23555248 | 0.68 | CRHR1 (0.44) | — | |
| SCHEMBL2233257 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL21562371 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL14246510 | 0.67 | ALDH1A1 (0.40) | — |
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-20180127329-A1 | Normal Alpha Olefin Synthesis Using Metathesis and Dehydroformylation | CHEVRON PHILLIPS CHEMICAL COMPANY LP | 2018-05-10 | — | — | US | disclosed |