⚠ 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 | |
|---|---|---|---|---|
| 2,5-Thiophenedinitrile SCHEMBL996528 | 0.80 | — | — | |
| SCHEMBL13074418 | 0.72 | PGR (0.43) | — | |
| SCHEMBL4963736 | 0.68 | — | — | |
| SCHEMBL26235787 | 0.68 | — | — | |
| SCHEMBL11460023 | 0.68 | — | — | |
| SCHEMBL23704234 | 0.68 | — | — | |
| SCHEMBL353603 | 0.68 | — | — | |
| SCHEMBL220878 | 0.68 | — | — | |
| SCHEMBL867171 | 0.68 | — | — | |
| SCHEMBL131099 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220002270-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-01-06 | — | — | US | disclosed |
| EP-3502112-A1 | ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVE | Guangdong Raynovent Biotech Co., Ltd. (CN) | 2019-06-26 | — | — | EP | disclosed |
| WO-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |
| EP-0759924-A1 | OLIGOTHIOPHENES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995030679-A1 | OLIGOTHIOPHENES | BASF AKTIENGESELLSCHAFT (DE) | 1995-11-16 | — | — | WO | disclosed |
| EP-0040408-A1 | Beta-lactam compounds and process for production thereof | SANRAKU-OCEAN CO., LTD. (JP) | 1981-11-25 | — | — | EP | disclosed |
| US-4053482-A | 1-METHYL-2-(SUBSTITUTED THIOMETHYL)-5-NITRO-IMIDAZOLES | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-11 | — | — | US | disclosed |