⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7948744 | 1.00 | — | — | |
| SCHEMBL18937999 | 1.00 | — | — | |
| SCHEMBL29190479 | 0.86 | EP300 (0.32) | — | |
| SCHEMBL29190454 | 0.85 | EP300 (0.39) | — | |
| SCHEMBL10620349 | 0.83 | — | — | |
| SCHEMBL10895739 | 0.83 | — | — | |
| SCHEMBL16440272 | 0.83 | — | — | |
| SCHEMBL10409556 | 0.83 | — | — | |
| SCHEMBL29190453 | 0.83 | EP300 (0.42) | — | |
| SCHEMBL12581507 | 0.81 | — | — |
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-3383838-B1 | PROCESS FOR THE CATALYTIC REVERSIBLE UNSATURATED HYDROCARBON-NITRILE INTERCONVERSION | STUDIENGESELLSCHAFT KOHLE GGMBH (DE) | 2023-10-25 | — | — | EP | disclosed |
| WO-2017093149-A1 | Process for the Catalytic Reversible Alkene-Nitrile Interconversion | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2017-06-08 | — | — | WO | disclosed |
| EP-3176151-A1 | PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION | Studiengesellschaft Kohle mbH (DE) | 2017-06-07 | — | — | EP | disclosed |
| US-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |