⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20463557 | 0.72 | — | — | |
| Propane SCHEMBL9246294 | 0.61 | — | — | |
| Propane SCHEMBL10956924 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.61 | — | — | |
| Propane SCHEMBL9248656 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL1021 | 0.61 | — | — | |
| Propane SCHEMBL2245238 | 0.55 | — | — | |
| Propane SCHEMBL9719556 | 0.55 | — | — | |
| Propane SCHEMBL7711629 | 0.55 | — | — | |
| Propane SCHEMBL11076973 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180222918-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LIMITED (GB) | 2018-08-09 | — | — | US | disclosed |
| US-20180221367-A1 | COMPOUNDS AND THEIR USE AS BACE INHIBITORS | ASTRAZENECA AB (SE) | 2018-08-09 | — | — | US | disclosed |
| US-20180221352-A1 | 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC | 2018-08-09 | — | — | US | disclosed |
| US-20180141954-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2018-05-24 | — | — | US | disclosed |
| CN-1487066-A | Production process of dirt-decomposing washing powder | 刘志忠 | 2004-04-07 | — | — | CN | disclosed |