⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15197858 | 1.00 | — | — | |
| SCHEMBL11273713 | 1.00 | — | — | |
| SCHEMBL20459471 | 0.92 | — | — | |
| SCHEMBL434844 | 0.92 | — | — | |
| SCHEMBL22252125 | 0.92 | — | — | |
| Ethane SCHEMBL28064762 | 0.74 | — | — | |
| SCHEMBL25414551 | 0.72 | — | — | |
| SCHEMBL9974855 | 0.72 | — | — | |
| SCHEMBL13463046 | 0.72 | — | — | |
| SCHEMBL22908386 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10815225-B2 | Antiproliferation compounds and uses thereof | MERCK PATENT GMBH (DE) | 2020-10-27 | — | — | US | disclosed |
| US-10738030-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-08-11 | — | — | US | disclosed |
| US-20190322658-A1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-10-24 | — | — | US | disclosed |
| US-10251831-B2 | Extract for treating wrinkles and/or fine lines | AVON PRODUCTS, INC. (US) | 2019-04-09 | — | — | US | disclosed |
| US-20190055220-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2019-02-21 | — | — | US | disclosed |
| EP-2961751-B1 | 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LTD (IN) | 2018-03-21 | — | — | EP | disclosed |