⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28352937 | 0.96 | — | — | |
| SCHEMBL1199442 | 0.83 | — | — | |
| SCHEMBL700970 | 0.78 | — | — | |
| SCHEMBL4378441 | 0.74 | — | — | |
| SCHEMBL5070336 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL497287 | 0.74 | — | — | |
| Ethane SCHEMBL7928917 | 0.74 | — | — | |
| SCHEMBL28958693 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29245369 | 0.74 | — | — | |
| Ethane SCHEMBL27800207 | 0.74 | — | — |
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-112574010-B | Preparation method of triphenylene derivative | 上海康鹏科技股份有限公司 | 2022-11-29 | — | — | CN | disclosed |