⚠ 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 | |
|---|---|---|---|---|
| 2-Thiophenecarbonitrile SCHEMBL7464826 | 0.97 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL12605 | 0.97 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL2171239 | 0.97 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL27480186 | 0.97 | GRM5 (0.38) | — | |
| 2-Thiophenecarbonitrile SCHEMBL3974338 | 0.95 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL31190197 | 0.95 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL30569535 | 0.95 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL28077754 | 0.95 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL9333294 | 0.95 | — | — | |
| 2-Thiophenecarbonitrile SCHEMBL28009768 | 0.95 | — | — |
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-1173945-C | 5-thia-omega-substituted phenyl-prostaglandin E derivatives, process for producing same and drugs containing same as active ingredient | СҰҩƷ��ҵ��ʽ���� | 2004-11-03 | — | — | CN | disclosed |
| CN-1312796-A | 5-thia-omega-substituted phenyl-prostaglandin E derivatives, process for producing same and drugs containing same as active ingredient | ONO PHARMACEUTICAL CO (JP) | 2001-09-12 | — | — | CN | disclosed |
| EP-0294749-B1 | PROCESS FOR PREPARING HIGHER ORDER CUPRATE COMPLEXES | G.D. Searle & Co. (US) | 1991-10-16 | — | — | EP | disclosed |
| EP-0294749-A1 | Process for preparing higher order cuprate complexes | G.D. Searle & Co. (US) | 1988-12-14 | — | — | EP | disclosed |