⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27953974 | 0.75 | — | — | |
| SCHEMBL27932752 | 0.71 | HCAR2 (0.30) | — | |
| SCHEMBL12162717 | 0.71 | HPGD (0.38) | — | |
| SCHEMBL28895703 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL29276428 | 0.65 | — | — | |
| SCHEMBL18366461 | 0.62 | — | — | |
| SCHEMBL28856862 | 0.61 | — | — | |
| SCHEMBL3439383 | 0.58 | — | — | |
| SCHEMBL27382966 | 0.58 | — | — | |
| SCHEMBL28155997 | 0.58 | — | — |
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-104844567-A | Synthesis method of intermediate 1- (3-chloro-2-pyridyl) -3-bromo-1H-5-pyrazolecarboxylic acid | UNIV JINAN | 2015-08-19 | — | — | CN | claimed |
| CN-104844567-A | Synthesis method of intermediate 1- (3-chloro-2-pyridyl) -3-bromo-1H-5-pyrazolecarboxylic acid | UNIV JINAN | 2015-08-19 | — | — | CN | disclosed |
| CN-103130796-B | A kind of 3-t-butylpyrazol amides and application thereof | QINGDAO UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) | 2015-07-29 | — | — | CN | disclosed |
| CN-103130796-A | 3-tertiary butyl pyrazole amides compounds and application thereof | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2013-06-05 | — | — | CN | disclosed |