⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1268892 | 0.98 | — | — | |
| SCHEMBL225335 | 0.98 | — | — | |
| Methyl Alcohol SCHEMBL11203341 | 0.92 | — | — | |
| SCHEMBL11215109 | 0.87 | — | — | |
| SCHEMBL8860815 | 0.85 | — | — | |
| SCHEMBL27868052 | 0.79 | ADRA2A (0.31) | — | |
| SCHEMBL181528 | 0.77 | — | — | |
| Valine SCHEMBL10280482 | 0.75 | SLC7A5 (0.41) | — | |
| SCHEMBL6689400 | 0.72 | — | — | |
| SCHEMBL963725 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011079157-A2 | POLYMERIC CONDUCTIVE DONOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110151153-A1 | POLYMERIC CONDUCTIVE DONOR | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-23 | — | — | US | disclosed |