⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2829361 | 0.81 | — | — | |
| SCHEMBL346282 | 0.74 | — | — | |
| SCHEMBL5776938 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL5367647 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL289345 | 0.69 | — | — | |
| SCHEMBL29942154 | 0.69 | BACE1 (0.35) | — | |
| SCHEMBL4615662 | 0.69 | F9 (0.30) | — | |
| SCHEMBL289346 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL666401 | 0.67 | TXNRD1 (0.49) | — | |
| SCHEMBL19328412 | 0.67 | FBP1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7217723-B2 | Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. | EISAI CO., LTD. (JP) | 2007-05-15 | — | — | US | disclosed |
| US-20050227959-A1 | Heterocyclic compound having oxime group | EISAI CO., LTD. (JP) | 2005-10-13 | — | — | US | disclosed |
| EP-0816363-B1 | 1,2,3-Benzothiadiazole derivatives and their use as microbicides | BAYER AGROCHEM KK (JP) | 2001-10-17 | — | — | EP | disclosed |