⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10409686 | 0.85 | IDO1 (0.34) | — | |
| Biphenyl SCHEMBL27625435 | 0.82 | NOTUM (0.44) | — | |
| Benzene SCHEMBL27686656 | 0.81 | — | — | |
| Naphthalene SCHEMBL29142822 | 0.79 | CYP2A6 (0.40) | — | |
| Toluene SCHEMBL27908305 | 0.78 | LMNA (0.48) | — | |
| Aniline SCHEMBL3525325 | 0.78 | TSHR (0.48) | — | |
| Benzene SCHEMBL27748340 | 0.78 | — | — | |
| Naphthalene SCHEMBL27769583 | 0.77 | CYP2A6 (0.38) | — | |
| SCHEMBL28254898 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL29282954 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114369072-A | Thiadiazole series high-refractive index monomer and application thereof | 江苏集萃光敏电子材料研究所有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-111116506-A | Synthetic method of aromatic mercapto-diazole derivative | 浙江大学衢州研究院 | 2020-05-08 | — | — | CN | disclosed |
| CN-110698422-A | Synthetic method of aromatic mercapto-diazole derivative | 浙江大学 | 2020-01-17 | — | — | CN | disclosed |