⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL309068 | 0.84 | — | — | |
| SCHEMBL11519338 | 0.84 | — | — | |
| SCHEMBL13528551 | 0.81 | CA12 (0.41) | — | |
| SCHEMBL30804410 | 0.81 | ADH1B (0.40) | — | |
| SCHEMBL24636779 | 0.79 | CA12 (0.42) | — | |
| SCHEMBL17383365 | 0.78 | CA12 (0.39) | — | |
| SCHEMBL12316037 | 0.77 | — | — | |
| SCHEMBL17383858 | 0.77 | — | — | |
| SCHEMBL15996556 | 0.75 | — | — | |
| SCHEMBL13695031 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022004691-A1 | GAS BARRIER RESIN COMPOSITION, MOLDED BODY, FILM OR SHEET, PACKAGING MATERIAL, FILM OR SHEET FOR INDUSTRIAL USES, HEAT MOLDED CONTAINER, CUP SHAPED CONTAINER, TRAY SHAPED CONTAINER, BLOW MOLDED CONTAINER, FUEL CONTAINER, BOTTLE CONTAINER, TUBE, MULTILAYER PIPE AND PAPER CONTAINER | 株式会社クラレ | 2022-01-06 | — | — | WO | disclosed |
| EP-3816262-A1 | QUANTUM DOT-CONTAINING COMPLEX, AND LIGHT-EMITTING DEVICE, OPTICAL MEMBER, AND DEVICE, EACH INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2021-05-05 | — | — | EP | disclosed |