⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13189001 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL3628793 | 0.69 | MAP3K14 (0.33) | — | |
| SCHEMBL455753 | 0.69 | — | — | |
| SCHEMBL18545242 | 0.69 | MAP3K14 (0.33) | — | |
| SCHEMBL2542930 | 0.68 | ABCB1 (0.40) | — | |
| SCHEMBL1683343 | 0.68 | ABCB1 (0.40) | — | |
| SCHEMBL10063715 | 0.68 | — | — | |
| SCHEMBL2544978 | 0.68 | ABCB1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL30478276 | 0.67 | MAP3K14 (0.32) | — | |
| Hydrochloric Acid SCHEMBL30478308 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2438106-B1 | OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS | BOEING CO (US) | 2015-03-11 | — | — | EP | disclosed |