⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5270457 | 0.76 | — | — | |
| SCHEMBL2424618 | 0.63 | ALDH1A1 (0.45) | — | |
| SCHEMBL2423190 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL751296 | 0.58 | — | — | |
| SCHEMBL752885 | 0.58 | — | — | |
| SCHEMBL4932188 | 0.58 | — | — | |
| SCHEMBL888654 | 0.58 | — | — | |
| SCHEMBL9507827 | 0.57 | ALDH1A1 (0.42) | — | |
| SCHEMBL127793 | 0.56 | — | — | |
| SCHEMBL28389848 | 0.52 | KMT2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1767528-B1 | PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND | IHARA CHEMICAL IND CO (JP) | 2014-09-17 | — | — | EP | disclosed |
| US-7488831-B2 | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2009-02-10 | — | — | US | disclosed |
| US-20070185334-A1 | Process for producing 5-hydroxy-4-thiomethylpyrazole compound | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-09 | — | — | US | disclosed |
| EP-1767528-A1 | PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2007-03-28 | — | — | EP | disclosed |