⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29521645 | 1.00 | — | — | |
| SCHEMBL19464111 | 0.90 | SHBG (0.31) | — | |
| SCHEMBL798743 | 0.90 | SHBG (0.31) | — | |
| SCHEMBL17260573 | 0.87 | — | — | |
| SCHEMBL28065538 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3338470 | 0.85 | — | — | |
| SCHEMBL3338468 | 0.81 | GAA (0.30) | — | |
| SCHEMBL28247215 | 0.76 | SHBG (0.37) | — | |
| SCHEMBL23832132 | 0.74 | SHBG (0.31) | — | |
| SCHEMBL6032316 | 0.74 | SHBG (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107400057-B | The N- alkylated reaction of nickel catalysis prepares secondary amine or N '-alkyl hydrazine | 山东师范大学 | 2019-09-24 | — | — | CN | claimed |
| CN-107400057-B | The N- alkylated reaction of nickel catalysis prepares secondary amine or N '-alkyl hydrazine | 山东师范大学 | 2019-09-24 | — | — | CN | disclosed |
| CN-110213965-A | Phenoxyphenylamidines and their use as fungicides | 拜耳作物科学股份公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-109890795-A | The imdazole derivatives that new 5- replaces | 拜耳作物科学股份公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109843065-A | Active agent combinations comprising the 5- imdazole derivatives replaced | 拜耳作物科学股份公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106459087-B | Process for the preparation of activated blood coagulation factor X (FXa) inhibitors | 第三共株式会社 | 2019-04-09 | — | — | CN | disclosed |
| CN-105636939-B | N- naphthenic base-N- [(two ring group phenyl) methylene]-(thio) carboxamides derivatives | 拜耳作物科学股份公司 | 2018-08-31 | — | — | CN | disclosed |