⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8865984 | 0.81 | ALDH1A1 (0.58) | — | |
| SCHEMBL6631519 | 0.81 | — | — | |
| SCHEMBL4274813 | 0.79 | — | — | |
| SCHEMBL708637 | 0.79 | — | — | |
| SCHEMBL4296648 | 0.78 | PLOD2 (0.54) | — | |
| SCHEMBL3780398 | 0.77 | — | — | |
| SCHEMBL609057 | 0.77 | — | — | |
| SCHEMBL8217712 | 0.77 | — | — | |
| SCHEMBL27941413 | 0.77 | — | — | |
| SCHEMBL11624491 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105377830-A | 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic) pyrimidine-4-carboxylates and their use as herbicides | DOW AGROSCIENCES LLC | 2016-03-02 | — | — | CN | disclosed |
| CN-105209451-A | 4-amino-6- (heterocyclyl) pyridine-2-carboxylic acid esters and 6-amino-2-2 (heterocyclyl) pyrimidine-4-carboxylic acid esters and their use as herbicides | DOW AGROSCIENCES LLC | 2015-12-30 | — | — | CN | disclosed |
| CN-102548984-B | The inhibitor of PI3 kinases and/or MTOR | AMGEN INC. (US) | 2015-11-25 | — | — | CN | disclosed |
| CN-102724875-B | Pyrido[3,4-b]indoles and methods of use | MEDIVATION TECHNOLOGIES INC | 2015-05-27 | — | — | CN | disclosed |