⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28004235 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL20202792 | 0.69 | — | — | |
| SCHEMBL5808811 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL5520774 | 0.69 | — | — | |
| SCHEMBL66166 | 0.65 | — | — | |
| SCHEMBL114502 | 0.65 | — | — | |
| SCHEMBL1605756 | 0.65 | — | — | |
| SCHEMBL812803 | 0.65 | — | — | |
| SCHEMBL5562884 | 0.65 | — | — | |
| SCHEMBL5697019 | 0.65 | — | — |
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-109111535-A | Catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-109111538-A | Catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-01-01 | — | — | CN | disclosed |
| EP-2997020-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184343-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |