⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19252976 | 0.78 | — | — | |
| SCHEMBL15008861 | 0.78 | — | — | |
| SCHEMBL8490367 | 0.70 | — | — | |
| SCHEMBL10172359 | 0.65 | — | — | |
| SCHEMBL7490 | 0.65 | — | — | |
| Trichloroethane SCHEMBL16434 | 0.65 | — | — | |
| SCHEMBL10649555 | 0.65 | — | — | |
| Trichloroethane SCHEMBL3833855 | 0.65 | TSHR (1.00) | — | |
| Trichloroethane SCHEMBL64609 | 0.65 | — | — | |
| SCHEMBL90709 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015178955-A1 | SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS | Eternity Bioscience Inc. (US) | 2015-11-26 | — | — | WO | disclosed |