⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9859971 | 1.00 | — | — | |
| SCHEMBL2185971 | 0.97 | ALDH1A1 (0.34) | — | |
| SCHEMBL2185972 | 0.97 | ALDH1A1 (0.34) | — | |
| SCHEMBL8464139 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL8464142 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL8084069 | 0.75 | — | — | |
| SCHEMBL2868540 | 0.75 | — | — | |
| SCHEMBL2617046 | 0.75 | — | — | |
| SCHEMBL25240738 | 0.73 | — | — | |
| SCHEMBL8140733 | 0.73 | ALDH1A1 (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114585628-B | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-101538243-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2012-05-09 | — | — | CN | disclosed |
| CN-101544606-B | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2012-02-29 | — | — | CN | disclosed |
| CN-1910147-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2011-04-20 | — | — | CN | disclosed |
| CN-101544606-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-30 | — | — | CN | disclosed |
| CN-101538243-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-23 | — | — | CN | disclosed |
| CN-1910147-A | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO (JP) | 2007-02-07 | — | — | CN | disclosed |
| EP-0173190-B1 | PROCESS FOR THE PREPARATION OF 5-ACYL PYRIMIDINES | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |
| US-4806644-A | HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS AND INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-02-21 | — | — | US | disclosed |
| US-4713456-A | HERBICIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1987-12-15 | — | — | US | disclosed |
| EP-0173190-A2 | Process for the preparation of 5-acyl pyrimidines | BAYER AG (DE) | 1986-03-05 | — | — | EP | disclosed |