⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126933 | 0.60 | — | — | |
| SCHEMBL2044415 | 0.60 | — | — | |
| SCHEMBL6152537 | 0.60 | — | — | |
| SCHEMBL12817433 | 0.60 | — | — | |
| SCHEMBL1397461 | 0.60 | — | — | |
| SCHEMBL4723233 | 0.56 | — | — | |
| SCHEMBL2040164 | 0.55 | — | — | |
| SCHEMBL9323180 | 0.55 | — | — | |
| SCHEMBL5203889 | 0.55 | — | — | |
| SCHEMBL2044879 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117881662-A | Herbicide malonamide containing monocyclic heteroaromatic ring | 巴斯夫欧洲公司 | 2024-04-12 | — | — | CN | disclosed |
| US-9505765-B2 | 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment | CONFLUENCE LIFE SCIENCES INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150203499-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | ACLARIS THERAPEUTICS, INC. | 2015-07-23 | — | — | US | disclosed |
| WO-2014018888-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | CONFLUENCE LIFE SCIENCES INC. (US) | 2014-01-30 | — | — | WO | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |