⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20917228 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL7388385 | 0.79 | ALDH1A1 (0.63) | — | |
| SCHEMBL11019424 | 0.77 | — | — | |
| SCHEMBL4249677 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6382870 | 0.75 | — | — | |
| SCHEMBL10840657 | 0.75 | — | — | |
| SCHEMBL3673 | 0.74 | — | — | |
| SCHEMBL1332089 | 0.74 | — | — | |
| SCHEMBL1958756 | 0.74 | ALDH1A1 (1.00) | — | |
| SCHEMBL2336864 | 0.73 | ALDH1A1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101605756-A | The water-soluble prodrug of florfenicol and analogue thereof | SCHERING PLOUGH LTD (CH) | 2009-12-16 | — | — | CN | disclosed |
| EP-0830336-A4 | PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS | OSI SPECIALTIES INC (US) | 2000-04-05 | — | — | EP | disclosed |
| EP-0830336-A1 | PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS | OSi Specialties, Inc. (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040613-A1 | PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS | OSI SPECIALTIES, INC. (US) | 1996-12-19 | — | — | WO | disclosed |