⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21780153 | 0.75 | HTT (0.30) | — | |
| SCHEMBL15431940 | 0.62 | — | — | |
| SCHEMBL20253567 | 0.61 | FABP7 (0.39) | — | |
| SCHEMBL15431941 | 0.60 | — | — | |
| SCHEMBL12310526 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL17407508 | 0.59 | — | — | |
| SCHEMBL21780152 | 0.58 | L3MBTL1 (0.35) | — | |
| SCHEMBL19379197 | 0.58 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20806844 | 0.58 | — | — | |
| SCHEMBL167605 | 0.57 | — | — |
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-3618166-B1 | LITHIUM ION BATTERY NON-AQUEOUS ELECTROLYTE AND LITHIUM ION BATTERY | SHENZHEN CAPCHEM TECHNOLOGY CO LTD (CN) | 2021-05-05 | — | — | EP | disclosed |