⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL15863587 | 0.96 | — | — | |
| SCHEMBL17525898 | 0.78 | — | — | |
| SCHEMBL15966376 | 0.75 | — | — | |
| SCHEMBL16724469 | 0.74 | — | — | |
| SCHEMBL515193 | 0.73 | — | — | |
| SCHEMBL8643182 | 0.73 | — | — | |
| SCHEMBL11294895 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7159837 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL28877356 | 0.72 | — | — | |
| SCHEMBL4828330 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445016-B2 | Grafted polymers and uses thereof | INTERFACE BIOLOGICS, INC. (CA) | 2013-05-21 | — | — | US | disclosed |
| EP-1990336-B1 | PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND | IHARA CHEMICAL IND CO (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-7812175-B2 | Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-10-12 | — | — | US | disclosed |
| US-20090036688-A1 | Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound | IHARA CHEMICAL INDUSTRY CO., LTD (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1990336-A1 | PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND | Ihara Chemical Industry Co., Ltd. (JP) | 2008-11-12 | — | — | EP | disclosed |
| US-3976636-A | Process and compounds | THE UPJOHN COMPANY (US) | 1976-08-24 | — | — | US | disclosed |