⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL1483972 | 0.96 | HIF1A (0.50) | — | |
| Piperazine SCHEMBL10953798 | 0.96 | HIF1A (0.50) | — | |
| Piperazine SCHEMBL28020653 | 0.92 | HIF1A (0.46) | — | |
| Piperazine SCHEMBL28175000 | 0.92 | HIF1A (0.46) | — | |
| Piperazine SCHEMBL28020651 | 0.89 | HIF1A (0.43) | — | |
| Pyrrolidine SCHEMBL11618713 | 0.89 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL9520159 | 0.86 | ALDH1A1 (0.60) | — | |
| Azepane SCHEMBL1450973 | 0.86 | ALDH1A1 (0.60) | — | |
| Pyrrolidine SCHEMBL28020375 | 0.86 | ALDH1A1 (0.50) | — | |
| Pyrrolidine SCHEMBL28020245 | 0.86 | ALDH1A1 (0.50) | — |
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-20070299211-A1 | Ambient temperature rapid self-polymerization compositions of high cross-linked or linear type beta-amino-ester alternative co-polymers and their applications | TAMKANG UNIVERSITY (TW) | 2007-12-27 | — | — | US | disclosed |
| CN-1159834-A | Transportability improver for pulverized coal | KAO CORP (JP) | 1997-09-17 | — | — | CN | disclosed |