⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45283 | 0.81 | — | — | |
| SCHEMBL2536891 | 0.81 | — | — | |
| SCHEMBL2514270 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28763140 | 0.75 | — | — | |
| SCHEMBL28049160 | 0.74 | — | — | |
| Thiocyanic Acid SCHEMBL28002882 | 0.67 | — | — | |
| Pyrrole SCHEMBL27879315 | 0.66 | — | — | |
| SCHEMBL27986482 | 0.65 | — | — | |
| Pyridine SCHEMBL28077443 | 0.65 | TSHR (0.33) | — | |
| Oxazole SCHEMBL27896048 | 0.64 | — | — |
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-109791987-B | Organic semiconductor compound | 天光材料科技股份有限公司 | 2023-10-24 | — | — | CN | disclosed |