⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18378341 | 0.78 | — | — | |
| SCHEMBL18378099 | 0.74 | — | — | |
| SCHEMBL6052677 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL18650236 | 0.71 | — | — | |
| SCHEMBL19112220 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL12628093 | 0.63 | MAPK1 (0.32) | — | |
| SCHEMBL2034670 | 0.61 | — | — | |
| SCHEMBL11911333 | 0.61 | — | — | |
| SCHEMBL891737 | 0.61 | — | — | |
| SCHEMBL20243847 | 0.61 | HTT (0.33) | — |
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 |