⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3056738 | 1.00 | — | — | |
| SCHEMBL158299 | 1.00 | — | — | |
| SCHEMBL8087904 | 0.97 | LMNA (0.33) | — | |
| SCHEMBL31040601 | 0.97 | LMNA (0.33) | — | |
| Glycine SCHEMBL9703259 | 0.87 | GLRA1 (0.48) | — | |
| Succinic Acid SCHEMBL8578421 | 0.87 | LMNA (0.43) | — | |
| Glycine SCHEMBL9394864 | 0.87 | GLRA1 (0.48) | — | |
| Acrylic Acid SCHEMBL29610169 | 0.83 | LMNA (0.43) | — | |
| Ether SCHEMBL8376136 | 0.83 | ALOX15 (0.36) | — | |
| SCHEMBL2163096 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11439993-B2 | Chiral binuclear metal complexes for stereoselective hydrolysis of saccharides and glycosides | BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2022-09-13 | — | — | US | disclosed |
| EP-3173408-A1 | PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL | Taisho Pharmaceutical Co., Ltd. (JP) | 2017-05-31 | — | — | EP | disclosed |