⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1237780 | 0.73 | — | — | |
| SCHEMBL342859 | 0.71 | — | — | |
| SCHEMBL461703 | 0.71 | — | — | |
| SCHEMBL19437198 | 0.71 | — | — | |
| SCHEMBL10220651 | 0.67 | KDR (0.37) | — | |
| SCHEMBL12245101 | 0.67 | FFAR2 (0.37) | — | |
| SCHEMBL12562416 | 0.67 | — | — | |
| SCHEMBL4112995 | 0.67 | — | — | |
| SCHEMBL16432518 | 0.67 | — | — | |
| SCHEMBL31567875 | 0.67 | — | — |
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-115109053-A | Thiazolesulfinyl thiadiazole derivative, intermediate, preparation method and application | 深圳湾实验室 | 2022-09-27 | — | — | CN | claimed |
| CN-115109053-A | Thiazolesulfinyl thiadiazole derivative, intermediate, preparation method and application | 深圳湾实验室 | 2022-09-27 | — | — | CN | disclosed |
| US-3984426-A | (1-Alkyl-5-nitro-imidazolyl-2-alkyl)-heteroaryl compounds | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-10-05 | — | — | US | disclosed |