⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21842925 | 0.97 | THRB (0.44) | — | |
| SCHEMBL14818838 | 0.97 | THRB (0.44) | — | |
| SCHEMBL28047125 | 0.97 | THRB (0.44) | — | |
| SCHEMBL14818843 | 0.97 | THRB (0.44) | — | |
| SCHEMBL17922756 | 0.91 | — | — | |
| SCHEMBL7578821 | 0.84 | — | — | |
| SCHEMBL25076648 | 0.79 | ALDH1A1 (0.51) | — | |
| SCHEMBL4261571 | 0.79 | THRB (0.41) | — | |
| SCHEMBL25259459 | 0.77 | THRB (0.47) | — | |
| SCHEMBL16610162 | 0.77 | THRB (0.47) | — |
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-107739365-A | A kind of preparation method of the base methanol of benzo [b] [1,4] oxygen thia hexamethylene 3 | 北京化工大学 | 2018-02-27 | — | — | CN | disclosed |
| US-20020082357-A1 | Resin and its use in converting morphine to codeine | CORCORAN ROBERT C (US) | 2002-06-27 | — | — | US | disclosed |
| WO-2002028917-A2 | RESIN AND ITS USE IN CONVERTING MORPHINE TO CODEINE | CORCORAN ROBERT C (US) | 2002-04-11 | — | — | WO | disclosed |
| CN-1230951-A | Herbicidal heteroaroyl cyclohexanedione derivatives | BASF AG (DE) | 1999-10-06 | — | — | CN | disclosed |