⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27989012 | 0.76 | — | — | |
| SCHEMBL470135 | 0.76 | — | — | |
| SCHEMBL13552266 | 0.76 | — | — | |
| SCHEMBL28286009 | 0.76 | — | — | |
| SCHEMBL14434322 | 0.75 | — | — | |
| SCHEMBL18599167 | 0.72 | — | — | |
| SCHEMBL19426843 | 0.71 | — | — | |
| SCHEMBL11984278 | 0.67 | — | — | |
| SCHEMBL10181958 | 0.67 | — | — | |
| SCHEMBL13863806 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2344471-B1 | 7-PIPERIDINOALKYL-3,4-DIHYDROQUINOLONE DERIVATIVE | TAISHO PHARMACEUTICAL CO LTD (JP) | 2013-07-24 | — | — | EP | disclosed |
| EP-2412711-A1 | INDAZOLEPROPIONIC ACID AMIDE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2007085833-A2 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-08-02 | — | — | WO | disclosed |
| WO-2003018546-A2 | TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-03-06 | — | — | WO | disclosed |