⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8014192 | 0.80 | ALPL (0.41) | — | |
| SCHEMBL10675452 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL5709279 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL22782202 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL22782204 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL22782205 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL22782206 | 0.74 | ALPL (0.36) | — | |
| SCHEMBL11418415 | 0.71 | ALPL (0.34) | — | |
| SCHEMBL14036995 | 0.70 | ALPL (0.33) | — | |
| SCHEMBL1639330 | 0.70 | ALPL (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4124591-A | HERBICIDES, PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | claimed |
| EP-3044226-B1 | ARYL ETHER-BASE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-09-06 | — | — | EP | disclosed |
| US-20070244159-A1 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-18 | — | — | US | disclosed |
| EP-0017893-B1 | PROCESS FOR THE PREPARATION OF HETEROCYCLIC TERTIARY ARALKYL AMINES | BASF Aktiengesellschaft (DE) | 1982-03-24 | — | — | EP | disclosed |
| US-4283534-A | Reductive alkylation of nitrogen heterocycles | BASF AKTIENGESELLSCHAFT (DE) | 1981-08-11 | — | — | US | disclosed |
| EP-0017893-A1 | Process for the preparation of heterocyclic tertiary aralkyl amines | BASF Aktiengesellschaft (DE) | 1980-10-29 | — | — | EP | disclosed |
| US-4124591-A | HERBICIDES, PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |
| US-4057414-A | O-(METHYLAMINOSULFONYL)-GLYCOLIC ACID HEXAMETHYLENE OR HEPTAMETHYLENE AMIDE, PROPIONIC ACID 3,4-DICHLOROANILIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-11-08 | — | — | US | disclosed |
| US-4030909-A | BENZOTHIADIAZINONE DIOXIDE AND A GLYCOLIC ACID AMIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |
| US-4021222-A | S-(2,3-DICHLOROALLYL)-(2,2,4-TRIMETHYL-AZETIDINE)-1 -CARBOTHIOLATE, HERBICIDES | BASF AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | disclosed |
| US-4001217-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |