⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26024961 | 0.80 | — | — | |
| SCHEMBL3365734 | 0.74 | — | — | |
| SCHEMBL8122882 | 0.74 | — | — | |
| SCHEMBL22674661 | 0.74 | — | — | |
| SCHEMBL27446861 | 0.72 | — | — | |
| SCHEMBL12451653 | 0.72 | GABRP (0.48) | — | |
| SCHEMBL25095503 | 0.72 | — | — | |
| SCHEMBL17928588 | 0.70 | — | — | |
| SCHEMBL9579420 | 0.70 | PTPN1 (0.39) | — | |
| SCHEMBL20289847 | 0.68 | GABRP (0.44) | — |
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-20210317486-A1 | METHOD OF PREPARING PRIMARY AMINES FROM AMINO ACIDS USING ENZYMATIC CONVERSION | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2021-10-14 | — | — | US | disclosed |