⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29503112 | 0.87 | — | — | |
| SCHEMBL11040641 | 0.75 | — | — | |
| SCHEMBL11872776 | 0.75 | — | — | |
| SCHEMBL7742298 | 0.75 | — | — | |
| SCHEMBL29971535 | 0.71 | — | — | |
| SCHEMBL31694990 | 0.71 | — | — | |
| SCHEMBL30743625 | 0.71 | — | — | |
| SCHEMBL20162287 | 0.71 | — | — | |
| SCHEMBL20598435 | 0.71 | — | — | |
| SCHEMBL3779810 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6013800-A | AMMOXIDATION OF ALKYL SUBSTITUED HETEROAROMATIC COMPOUND IN THE PRESENCE OF SOLID CATALYST;BY PRODUCT INHIBITION, CATALYST SELECTIVITY, EFFICIENT CONVERSION OF HETEROAROMATIC COMPOUND TO CORRESPONDING NITRILE | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2000-01-11 | — | — | US | disclosed |
| US-5786478-A | VAPOR PHASE | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1998-07-28 | — | — | US | disclosed |
| EP-0698603-A1 | Process for preparing cyanopyrazine | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1996-02-28 | — | — | EP | disclosed |
| EP-0684074-A1 | A solid catalyst for preparing nitriles and its preparation | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1995-11-29 | — | — | EP | disclosed |