⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1224538 | 1.00 | — | — | |
| SCHEMBL14997347 | 1.00 | — | — | |
| Water SCHEMBL16895243 | 0.97 | — | — | |
| SCHEMBL9082875 | 0.83 | — | — | |
| Levulinic Acid SCHEMBL165683 | 0.83 | LMNA (0.64) | — | |
| Ethyl Acetate SCHEMBL11839625 | 0.82 | ALDH1A1 (0.56) | — | |
| SCHEMBL11578520 | 0.81 | PAOX (0.46) | — | |
| SCHEMBL11809377 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL11507411 | 0.79 | PAOX (0.50) | — | |
| 2-Pentanol SCHEMBL16093990 | 0.79 | ALDH1A1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2933338-A2 | Microorganisms and methods for the co-production of isopropanol with primary alcohols, diols and acids | Genomatica, Inc. (US) | 2015-10-21 | — | — | EP | disclosed |
| EP-2128246-A1 | Methods and composition for the production of orthoganal tRNA-Aminoacyl-tRNA synthetase pairs | The Scripps Research Institute (US) | 2009-12-02 | — | — | EP | disclosed |
| EP-0592881-B1 | Process for producing optically active gamma-hydroxyketones | TAKASAGO PERFUMERY CO LTD (JP) | 1998-05-20 | — | — | EP | disclosed |
| US-5349107-A | Ruthenium optically active phosphine complex | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0592881-A2 | Process for producing optically active gamma-hydroxyketones | Takasago International Corporation (JP) | 1994-04-20 | — | — | EP | disclosed |