⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3917579 | 1.00 | — | — | |
| SCHEMBL22129788 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL30217891 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL3677558 | 0.77 | TSHR (0.33) | — | |
| Toluene SCHEMBL20393936 | 0.72 | TSHR (0.38) | — | |
| Isonicotinonitrile SCHEMBL1135040 | 0.69 | TSHR (0.33) | — | |
| Quinoline SCHEMBL1193953 | 0.68 | — | — | |
| Pyridine SCHEMBL1135155 | 0.66 | — | — | |
| Benzene SCHEMBL28592113 | 0.65 | — | — | |
| Biphenyl SCHEMBL1360026 | 0.64 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024010059-A1 | CURABLE RESIN COMPOSITION AND SEALING AGENT FOR ORGANIC EL DISPLAY ELEMENTS | 積水化学工業株式会社 | 2024-01-11 | — | — | WO | disclosed |