⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3949247 | 0.70 | MAP3K14 (0.40) | — | |
| SCHEMBL9638382 | 0.70 | — | — | |
| SCHEMBL10668483 | 0.70 | — | — | |
| SCHEMBL9846588 | 0.69 | — | — | |
| SCHEMBL9204200 | 0.68 | SLC6A1 (0.31) | — | |
| SCHEMBL1426470 | 0.66 | L3MBTL1 (0.34) | — | |
| SCHEMBL9243993 | 0.66 | — | — | |
| SCHEMBL17817929 | 0.65 | — | — | |
| SCHEMBL7046712 | 0.65 | GAA (0.35) | — | |
| SCHEMBL9646043 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0084329-A2 | Process for the production of 1,4-bis-(dicyanomethylene) cyclohexane | BAYER AG (DE) | 1983-07-27 | — | — | EP | claimed |
| EP-1421634-B1 | ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES | SENSIENT IMAGING TECHNOLOGIES (DE) | 2005-11-16 | — | — | EP | disclosed |
| EP-1421634-A2 | ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES | Sensient Imaging Technologies GmbH (DE) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003019697-A2 | ORGANIC ELECTROLUMINESCENT DEVICE BASED ON 2,5-DIAMINOTEREPHTHALIC ACID DERIVATIVES | SENSIENT IMAGING TECHNOLOGIES GMBH (DE) | 2003-03-06 | — | — | WO | disclosed |
| EP-0583704-A2 | Recyclable thermoplastic foam | BAYER AG (DE) | 1994-02-23 | — | — | EP | disclosed |
| EP-0330968-A1 | Process for preparing rubber/metal composites with a high rubber/metal adhesion | BAYER AG (DE) | 1989-09-06 | — | — | EP | disclosed |
| EP-0084329-B1 | PROCESS FOR THE PRODUCTION OF 1,4-BIS-(DICYANOMETHYLENE) CYCLOHEXANE | BAYER AG (DE) | 1986-04-02 | — | — | EP | disclosed |
| EP-0084329-A2 | Process for the production of 1,4-bis-(dicyanomethylene) cyclohexane | BAYER AG (DE) | 1983-07-27 | — | — | EP | disclosed |