⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12737796 | 0.81 | — | — | |
| SCHEMBL9963863 | 0.67 | EGFR (0.33) | — | |
| SCHEMBL28347304 | 0.62 | GPR35 (0.31) | — | |
| SCHEMBL11910640 | 0.61 | EGFR (0.33) | — | |
| SCHEMBL12112303 | 0.61 | EGFR (0.33) | — | |
| SCHEMBL16318646 | 0.59 | EGFR (0.32) | — | |
| SCHEMBL11910572 | 0.58 | KDM4E (0.33) | — | |
| SCHEMBL8002605 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL11587496 | 0.57 | MAPT (0.36) | — | |
| SCHEMBL14300900 | 0.56 | 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-RE44304-E1 | Conjugated monomers and polymers and preparation and use thereof | NORTHWESTERN UNIVERSITY (US) | 2013-06-18 | — | — | US | disclosed |
| US-7928249-B2 | Conjugated monomers and polymers and preparation and use thereof | NORTHWESTERN UNIVERSITY (US) | 2011-04-19 | — | — | US | disclosed |