⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4757981 | 1.00 | — | — | |
| SCHEMBL8468130 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL3268804 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL18665365 | 0.97 | ALDH1A1 (0.43) | — | |
| SCHEMBL8015996 | 0.92 | — | — | |
| SCHEMBL214085 | 0.92 | — | — | |
| SCHEMBL9597208 | 0.92 | — | — | |
| SCHEMBL8168813 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL15828114 | 0.84 | HTT (0.38) | — | |
| SCHEMBL8168814 | 0.84 | ALDH1A1 (0.34) | — |
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-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 |