⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19914342 | 0.67 | AHR (0.36) | — | |
| SCHEMBL24251890 | 0.67 | GABRP (0.39) | — | |
| SCHEMBL1705475 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL30082406 | 0.67 | GABRP (0.39) | — | |
| SCHEMBL16391432 | 0.64 | MCL1 (0.37) | — | |
| SCHEMBL6216110 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL10012831 | 0.58 | BACE1 (0.37) | — | |
| SCHEMBL1821982 | 0.58 | ELANE (0.41) | — | |
| SCHEMBL9388206 | 0.58 | ACHE (0.43) | — | |
| SCHEMBL6490027 | 0.57 | TDP1 (0.57) | — |
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-20040157122-A1 | Forming macromolecule for battery; using a 1,3,4-thiadiazole compound | AOI ELECTRONICS CO., LTD. (JP) | 2004-08-12 | — | — | US | disclosed |
| CN-1502139-A | Energy storing device material from heterocyclic organic sulfur compound and method of designing it | 直井健三 | 2004-06-02 | — | — | CN | disclosed |
| EP-1387421-A1 | ENERGY STORING DEVICE MATERIAL FROM HETEROCYCLIC ORGANIC SULFUR COMPOUND AND METHOD OF DESIGNING IT | Naoi, Katsuhiko (JP) | 2004-02-04 | — | — | EP | disclosed |