⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21659131 | 0.80 | — | — | |
| SCHEMBL17603299 | 0.67 | TP53 (0.32) | — | |
| SCHEMBL9349164 | 0.67 | — | — | |
| SCHEMBL1013574 | 0.67 | — | — | |
| SCHEMBL19754041 | 0.67 | — | — | |
| SCHEMBL12987839 | 0.63 | — | — | |
| SCHEMBL7113337 | 0.63 | LMNA (0.45) | — | |
| SCHEMBL8827226 | 0.63 | — | — | |
| SCHEMBL9733539 | 0.63 | TP53 (0.34) | — | |
| SCHEMBL11376124 | 0.63 | TP53 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679637-B1 | Acetaldehyde derivatives, process for their preparation and their use | HOECHST FRANCE (FR) | 1997-09-10 | — | — | EP | claimed |
| US-5600001-A | CONVERTING SUBSTITUTED ACETALDEHYDE-AZINE TO CORRESPONDING ETHYLAMINE IN ALCOHOL SOLUTION UNDER REDUCING ATMOSPHERE IN PRESENCE OF CATALYST | SOCIETE FRANCAISE HOECHST (FR) | 1997-02-04 | — | — | US | disclosed |
| US-5527964-A | AZINE DERIVATIVES | SOCIETE FRANCAISE HOECHST (FR) | 1996-06-18 | — | — | US | disclosed |