⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL216313 | 1.00 | — | — | |
| SCHEMBL8016895 | 0.91 | USP2 (0.39) | — | |
| SCHEMBL8016893 | 0.91 | USP2 (0.39) | — | |
| SCHEMBL8863084 | 0.87 | HSD17B10 (0.40) | — | |
| SCHEMBL623824 | 0.84 | — | — | |
| SCHEMBL14365750 | 0.84 | — | — | |
| SCHEMBL606657 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL8016291 | 0.83 | HSD17B10 (0.56) | — | |
| SCHEMBL8013119 | 0.83 | HSD17B10 (0.56) | — | |
| SCHEMBL8016296 | 0.83 | HSD17B10 (0.56) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10087541-A | — | — | None | — | — | JP | disclosed |
| US-6103517-A | ECONOMICAL, SIMPLE PRODUCTION OF SECONDARY ALCOHOL CONTAINING ASSYMETRIC CARBON HAVING SUBSTITUTED METHYL GROUP AND HAVING ALKOXY AS TERMINAL GROUP BY ASSYMETRIC TRANSESTERIFICATION USING VINYL PROPIONATE AND LIPASE FROM CANDIDA ANTARCIA | MITSUBISHI GAS CHEMICAL COMPANY (JP) | 2000-08-15 | — | — | US | disclosed |
| JP-H1087541-A | OPTICALLY ACTIVE ALCOHOL AND ITS PRODUCTION | MITSUBISHI GAS CHEM CO INC | 1998-04-07 | — | — | JP | disclosed |