⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2216802 | 0.79 | — | — | |
| SCHEMBL848821 | 0.77 | — | — | |
| SCHEMBL19475277 | 0.77 | ABL1 (0.44) | — | |
| SCHEMBL6630555 | 0.74 | — | — | |
| SCHEMBL16389544 | 0.74 | — | — | |
| SCHEMBL1666625 | 0.74 | CHRM2 (0.40) | — | |
| SCHEMBL12477263 | 0.74 | — | — | |
| SCHEMBL28102868 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL16414448 | 0.73 | — | — | |
| SCHEMBL16414634 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2865446-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL | KANTO KAGAKU (JP) | 2021-09-22 | — | — | EP | disclosed |
| EP-2460789-B1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2017-04-19 | — | — | EP | disclosed |
| US-9174906-B2 | Process for producing optically active secondary alcohol | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2015-11-03 | — | — | US | disclosed |
| US-9079830-B2 | Method for producing biaryl compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2865446-A1 | Process for producing optically active secondary alcohol | Kanto Kagaku Kabushiki Kaisha (JP) | 2015-04-29 | — | — | EP | disclosed |
| US-20150031920-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL | NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) | 2015-01-29 | — | — | US | disclosed |
| EP-2460789-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2012-06-06 | — | — | EP | disclosed |
| US-20120123154-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-17 | — | — | US | disclosed |
| CN-1052854-A | The preparation method of 2-(2-furyl) thanomin | MONSANTO CO (US) | 1991-07-10 | — | — | CN | disclosed |