⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1448477 | 0.85 | — | — | |
| SCHEMBL1718172 | 0.82 | — | — | |
| SCHEMBL575165 | 0.82 | KDM4E (0.35) | — | |
| Water SCHEMBL6302124 | 0.77 | KDM4E (0.33) | — | |
| Water SCHEMBL11593563 | 0.77 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL10351867 | 0.71 | — | — | |
| SCHEMBL14790911 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL14163361 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL34886 | 0.64 | — | — | |
| Cyclopropane SCHEMBL8849477 | 0.61 | KDM4E (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4841073-A | ELECTROCONDUCTIVE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| EP-0224779-A1 | Radical anion salts of 1,4,5,8-naphthalenetetracarboxylic acid derivatives, process for their preparation, and their use | BAYER AG (DE) | 1987-06-10 | — | — | EP | disclosed |