⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8032702 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL7705622 | 0.84 | ALDH1A1 (0.32) | — | |
| Lithium SCHEMBL4587867 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL16316878 | 0.81 | L3MBTL1 (0.38) | — | |
| SCHEMBL10137916 | 0.74 | CLTC (0.33) | — | |
| Lithium Ion SCHEMBL94590 | 0.74 | CLTC (0.42) | — | |
| SCHEMBL16097930 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL21946061 | 0.62 | CLTC (0.36) | — | |
| SCHEMBL21404284 | 0.61 | CLTC (0.40) | — | |
| Ethylenediamine SCHEMBL21957845 | 0.60 | CLTC (0.39) | — |
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-20170112948-A1 | Inorganic-organic hybrid compound | Karlsruher Institut für Technologie (DE) | 2017-04-27 | — | — | US | disclosed |