⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4590239 | 0.78 | RAB9A (0.38) | — | |
| SCHEMBL4591209 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL3790001 | 0.78 | CYP3A4 (0.42) | — | |
| SCHEMBL15546923 | 0.74 | APP (0.44) | — | |
| SCHEMBL6069115 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL177819 | 0.68 | — | — | |
| SCHEMBL75931 | 0.63 | METAP2 (0.42) | — | |
| SCHEMBL2069523 | 0.63 | METAP2 (0.42) | — | |
| SCHEMBL66792 | 0.63 | METAP2 (0.42) | — | |
| SCHEMBL453855 | 0.61 | METAP2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108863894-A | A kind of method of the direct synthesis of indole of nitrile | 中国科学技术大学 | 2018-11-23 | — | — | CN | disclosed |
| WO-2011072207-A1 | AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-16 | — | — | WO | disclosed |
| EP-1909775-A2 | FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES | Onconova Therapeutics, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007016201-A2 | FORMULATION OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES | ONCONOVA THERAPEUTICS, INC. (US) | 2007-02-08 | — | — | WO | disclosed |