⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27983325 | 0.82 | — | — | |
| SCHEMBL14985274 | 0.78 | IMPDH2 (0.42) | — | |
| SCHEMBL8271732 | 0.77 | — | — | |
| SCHEMBL29954962 | 0.77 | — | — | |
| SCHEMBL142888 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29950750 | 0.76 | GAA (0.45) | — | |
| Hydrochloric Acid SCHEMBL3208467 | 0.76 | GAA (0.45) | — | |
| SCHEMBL25860651 | 0.74 | GAA (0.43) | — | |
| SCHEMBL18716205 | 0.74 | GAA (0.43) | — | |
| SCHEMBL25225132 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104059023-B | The environment-friendly preparation method of VITMAIN B1 key intermediate 2-methyl-4-amino-5-amino methylpyrimidine | XINFA PHARMACEUTICAL CO., LTD. (CN) | 2016-04-06 | — | — | CN | claimed |
| CN-103130936-B | Functional polymer containing amino aryl ethylene and preparation method of functional polymer | XINFA PHARMACEUTICAL CO LTD | 2015-04-08 | — | — | CN | claimed |
| CN-104059023-A | Environment-friendly preparation method for key intermediate 2-methyl-4-amino-5-aminomethyl pyrimidine of vitamin B1 | XINFA PHARMACEUTICAL CO LTD | 2014-09-24 | — | — | CN | claimed |
| CN-103130936-A | Functional polymer containing amino aryl ethylene and preparation method of functional polymer | XINFA PHARMACEUTICAL CO LTD | 2013-06-05 | — | — | CN | claimed |
| WO-2019014300-A1 | PHENYLACETAMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |
| CN-108950645-A | A kind of aluminium and aluminium alloy anode oxide are without nickel sealer | 上海铝通化学科技有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-104059023-B | The environment-friendly preparation method of VITMAIN B1 key intermediate 2-methyl-4-amino-5-amino methylpyrimidine | XINFA PHARMACEUTICAL CO., LTD. (CN) | 2016-04-06 | — | — | CN | disclosed |
| CN-103130936-B | Functional polymer containing amino aryl ethylene and preparation method of functional polymer | XINFA PHARMACEUTICAL CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-104059023-A | Environment-friendly preparation method for key intermediate 2-methyl-4-amino-5-aminomethyl pyrimidine of vitamin B1 | XINFA PHARMACEUTICAL CO LTD | 2014-09-24 | — | — | CN | disclosed |
| CN-103130936-A | Functional polymer containing amino aryl ethylene and preparation method of functional polymer | XINFA PHARMACEUTICAL CO LTD | 2013-06-05 | — | — | CN | disclosed |