⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310774 | 1.00 | — | — | |
| SCHEMBL19233490 | 1.00 | — | — | |
| Chloromethane SCHEMBL10487724 | 0.95 | ALDH1A1 (0.42) | — | |
| SCHEMBL15641331 | 0.82 | — | — | |
| SCHEMBL305582 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL11147178 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL305583 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL28716184 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL6537012 | 0.78 | ALDH1A1 (0.53) | — | |
| Ammonia Solution, Strong SCHEMBL7633955 | 0.78 | ALDH1A1 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | claimed |
| US-4935516-A | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1990-06-19 | — | — | US | claimed |
| EP-0326389-A2 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1989-08-02 | — | — | EP | claimed |
| CN-115135307-A | Carrier for cell delivery | 株式会社ITO | 2022-09-30 | — | — | CN | disclosed |
| US-7358387-B2 | Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters | BAYER CROPSCIENCE AG (DE) | 2008-04-15 | — | — | US | disclosed |
| US-20060252944-A1 | Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-11-09 | — | — | US | disclosed |
| EP-0326389-B1 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES (JP) | 1996-09-11 | — | — | EP | disclosed |
| US-4935516-A | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1990-06-19 | — | — | US | disclosed |
| EP-0326389-A2 | Process for preparing 4-hydroxypyrimidine | UBE INDUSTRIES, LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |