⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9903248 | 0.59 | — | — | |
| SCHEMBL24676486 | 0.44 | — | — | |
| SCHEMBL1993425 | 0.43 | MAPK1 (0.43) | — | |
| SCHEMBL57168 | 0.42 | ALDH1A1 (0.47) | — | |
| SCHEMBL7448 | 0.39 | — | — | |
| Water SCHEMBL1498163 | 0.33 | — | — | |
| Water SCHEMBL1325168 | 0.33 | — | — | |
| Water SCHEMBL11304361 | 0.33 | — | — | |
| Water SCHEMBL1323485 | 0.33 | — | — | |
| SCHEMBL11900447 | 0.33 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10206401-B2 | Pyridine compounds for controlling invertebrate pests II | BASF SE (DE) | 2019-02-19 | — | — | US | disclosed |
| US-20180116221-A1 | Pyridine Compounds for Controlling Invertebrate Pests II | BASF SE (DE) | 2018-05-03 | — | — | US | 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 |
| EP-2616458-B1 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II | BASF SE (DE) | 2016-07-20 | — | — | EP | 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-20130203821-A1 | Pyridine Compounds for Controlling Invertebrate Pests II | BASF SE (DE) | 2013-08-08 | — | — | US | disclosed |
| EP-2616458-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012034960-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |