⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1094458 | 0.95 | HCAR2 (0.48) | — | |
| SCHEMBL20631156 | 0.71 | — | — | |
| SCHEMBL14737141 | 0.71 | — | — | |
| SCHEMBL12094375 | 0.71 | — | — | |
| SCHEMBL21240837 | 0.71 | SOS1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL4806099 | 0.70 | HCAR2 (0.43) | — | |
| SCHEMBL5083071 | 0.69 | HCAR2 (0.70) | — | |
| SCHEMBL11914621 | 0.68 | HCAR2 (0.46) | — | |
| SCHEMBL25321264 | 0.67 | HCAR2 (0.48) | — | |
| SCHEMBL14030325 | 0.67 | HCAR2 (0.44) | — |
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-114728965-B | Pyrido heterocyclic compounds, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| WO-2023109870-A1 | PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF | 上海壹迪生物技术有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2021147699-A1 | PYRIDOHETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-07-29 | — | — | WO | disclosed |
| US-20040186156-A1 | Substituted N-(1,4,5,6,-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-09-23 | — | — | US | disclosed |
| US-6747046-B2 | ANTITUMOR, ANTI CELL PROLIFERATION | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-06-08 | — | — | US | disclosed |
| US-20030212121-A1 | Substituted N-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl) derivatives, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-11-13 | — | — | US | disclosed |
| WO-2003029223-A1 | SUBSTITUTED N-(1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOL-3-YL) DERIVATIVES AND THE USE OF THE SAME FOR THE TREATMENT OF CANCER | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | WO | disclosed |