⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9114190 | 0.80 | CHRM2 (0.34) | — | |
| SCHEMBL4691097 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4931478 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL4294178 | 0.77 | SLC6A3 (0.35) | — | |
| SCHEMBL5605219 | 0.75 | OPRD1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1622048 | 0.75 | SLC6A4 (0.34) | — | |
| SCHEMBL3707777 | 0.73 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL5219661 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL10512119 | 0.68 | CHRNA7 (0.55) | — | |
| SCHEMBL7267071 | 0.65 | ACHE (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102060803-A | Preparation method of 1,3,4-thiadiazole derivative containing piperazine | ZHANGJIAGANG HANKANG CHEMICAL CO LTD | 2011-05-18 | — | — | CN | disclosed |