⚠ 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 | |
|---|---|---|---|---|
| M-Xylene SCHEMBL17836908 | 0.82 | — | — | |
| SCHEMBL30638543 | 0.76 | — | — | |
| SCHEMBL13948172 | 0.68 | — | — | |
| Toluene SCHEMBL112707 | 0.68 | — | — | |
| SCHEMBL17731924 | 0.67 | — | — | |
| SCHEMBL29956102 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL789655 | 0.66 | — | — | |
| SCHEMBL30872244 | 0.65 | — | — | |
| SCHEMBL29985797 | 0.65 | LMNA (0.31) | — | |
| SCHEMBL32680568 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250160195-A1 | LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND | SAMSUNG DISPLAY CO., LTD. (KR) | 2025-05-15 | — | — | US | disclosed |
| WO-2016073545-A1 | PHENYLOXADIAZOLE BENZOIC ACIDS | CONCERT PHARMACEUTICALS, INC. (US) | 2016-05-12 | — | — | WO | disclosed |