⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4424499 | 0.97 | — | — | |
| SCHEMBL14417491 | 0.97 | ABCG2 (1.00) | — | |
| SCHEMBL29353984 | 0.97 | — | — | |
| SCHEMBL8711 | 0.97 | — | — | |
| Methane SCHEMBL23532210 | 0.93 | ABCG2 (0.93) | — | |
| Hydrochloric Acid SCHEMBL4243178 | 0.93 | ABCG2 (0.93) | — | |
| Benzene SCHEMBL28224106 | 0.93 | ABCG2 (0.93) | — | |
| Water SCHEMBL27703625 | 0.93 | ABCG2 (0.93) | — | |
| Hydrochloric Acid SCHEMBL21296905 | 0.90 | ABCG2 (0.88) | — | |
| Ethylene SCHEMBL28094777 | 0.90 | ABCG2 (0.88) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105358584-A | Active energy ray-polymerizable resin composition and laminate | TOYO INK SC HOLDINGS CO LTD | 2016-02-24 | — | — | CN | disclosed |