⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22861361 | 0.77 | ADORA2B (0.30) | — | |
| SCHEMBL24436830 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL22891017 | 0.74 | FAAH (0.33) | — | |
| SCHEMBL21033826 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL12918648 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL13011976 | 0.69 | — | — | |
| SCHEMBL75248 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL24721822 | 0.68 | PRKCA (0.35) | — | |
| SCHEMBL13028467 | 0.68 | PRKCA (0.37) | — | |
| SCHEMBL19561617 | 0.67 | — | — |
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-20220157484-A1 | POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-05-19 | — | — | US | disclosed |