⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18502824 | 0.95 | — | — | |
| SCHEMBL21973793 | 0.73 | — | — | |
| SCHEMBL18502817 | 0.72 | GRIN2D (0.32) | — | |
| SCHEMBL18502820 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL18502825 | 0.70 | NPC1 (0.33) | — | |
| SCHEMBL18502821 | 0.70 | NPC1 (0.33) | — | |
| SCHEMBL18826113 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL9549649 | 0.65 | NPC1 (0.35) | — | |
| SCHEMBL14882701 | 0.64 | IDUA (0.35) | — | |
| SCHEMBL13887518 | 0.62 | IDUA (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | US | disclosed |