⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682864 | 0.87 | — | — | |
| SCHEMBL614536 | 0.76 | — | — | |
| SCHEMBL24001174 | 0.72 | — | — | |
| SCHEMBL327702 | 0.67 | — | — | |
| SCHEMBL15483896 | 0.65 | POLB (0.45) | — | |
| SCHEMBL262312 | 0.65 | — | — | |
| SCHEMBL84808 | 0.65 | CHRNA7 (0.48) | — | |
| SCHEMBL577415 | 0.65 | CHRNA7 (0.48) | — | |
| SCHEMBL407168 | 0.65 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL6657817 | 0.65 | CHRNA7 (0.48) | — |
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-2017116272-A1 | METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS | PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) | 2017-07-06 | — | — | WO | disclosed |