⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5479496 | 0.79 | — | — | |
| SCHEMBL12804954 | 0.74 | — | — | |
| SCHEMBL27697364 | 0.74 | — | — | |
| SCHEMBL27678522 | 0.74 | — | — | |
| SCHEMBL27678517 | 0.74 | — | — | |
| SCHEMBL1315169 | 0.70 | — | — | |
| SCHEMBL27697356 | 0.70 | — | — | |
| SCHEMBL11347633 | 0.69 | — | — | |
| SCHEMBL12545130 | 0.66 | — | — | |
| SCHEMBL27697287 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348112-A | Technological synthesis method of 1-amino cyclopropyl acetylene | HAOYUAN CHEMEXPRESS CO LTD | 2016-02-24 | — | — | CN | claimed |
| CN-108558792-B | Preparation method of 4- (6-aminopyridin-3-yl) piperazine-1-carboxylic acid tert-butyl ester | 深圳蓝新科技有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-108440451-B | Preparation method of 4- (1-tert-butyloxycarbonylpiperazin-4-yl) aniline | 深圳蓝新科技有限公司 | 2020-07-31 | — | — | CN | disclosed |
| CN-105348112-A | Technological synthesis method of 1-amino cyclopropyl acetylene | HAOYUAN CHEMEXPRESS CO LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-102766009-A | Sulfonated phenols with nitrophenols as polymerization inhibitors | CHEMTURA CORP | 2012-11-07 | — | — | CN | disclosed |
| CN-100564332-C | Sulfonated nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2009-12-02 | — | — | CN | disclosed |
| CN-101044106-A | Sulfonated phenols and nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2007-09-26 | — | — | CN | disclosed |
| CN-101031528-A | Sulfonated nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2007-09-05 | — | — | CN | disclosed |
| US-6265469-B1 | BLEND CONTAINING A STERIC HINDERED PIPERIDINYLOXY COMPOUND | DU PONT WIREX LTD (TW) | 2001-07-24 | — | — | US | disclosed |