⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16674526 | 0.99 | — | — | |
| SCHEMBL16674517 | 0.91 | — | — | |
| SCHEMBL19213993 | 0.91 | — | — | |
| SCHEMBL19214020 | 0.91 | KDM4E (0.33) | — | |
| SCHEMBL13058844 | 0.90 | NR1H2 (0.30) | — | |
| SCHEMBL19472359 | 0.88 | CES1 (0.30) | — | |
| SCHEMBL13058845 | 0.86 | NR1H2 (0.30) | — | |
| SCHEMBL13058842 | 0.85 | KDM4E (0.36) | — | |
| SCHEMBL16472634 | 0.85 | TP53 (0.30) | — | |
| SCHEMBL16668725 | 0.84 | NR1H2 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150114467-A1 | DONOR-ACCEPTOR ALTERNATING CONJUGATED POLYMER AND SOLAR CELL DEVICE MANUFACTURED BY USING THE SAME | NATIONAL TAIWAN UNIVERSITY (TW) | 2015-04-30 | — | — | US | disclosed |