⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16472631 | 0.92 | CES1 (0.32) | — | |
| SCHEMBL18926162 | 0.91 | CDC25A (0.34) | — | |
| SCHEMBL16472633 | 0.90 | CDC25A (0.34) | — | |
| SCHEMBL16472635 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL17657450 | 0.88 | MAPT (0.31) | — | |
| SCHEMBL25451161 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL16472634 | 0.84 | TP53 (0.30) | — | |
| SCHEMBL17657454 | 0.82 | — | — | |
| SCHEMBL17657381 | 0.81 | PGR (0.37) | — | |
| SCHEMBL17175256 | 0.81 | CDC25A (0.32) | — |
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-20150295179-A1 | MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES | LI YUNING (US) | 2015-10-15 | — | — | US | disclosed |