⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17175235 | 0.78 | CYP19A1 (0.31) | — | |
| SCHEMBL17175231 | 0.73 | TYMS (0.31) | — | |
| SCHEMBL17179143 | 0.70 | — | — | |
| SCHEMBL17175253 | 0.69 | MAPT (0.40) | — | |
| SCHEMBL17175239 | 0.69 | TDP1 (0.42) | — | |
| SCHEMBL17175240 | 0.66 | TDP1 (0.38) | — | |
| SCHEMBL17175242 | 0.66 | TDP2 (0.38) | — | |
| SCHEMBL17175234 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL17175233 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL27331121 | 0.61 | — | — |
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 |