⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442193 | 0.73 | — | — | |
| SCHEMBL15323 | 0.72 | CA12 (0.56) | — | |
| SCHEMBL8719555 | 0.72 | CA12 (0.56) | — | |
| Ditiocarb SCHEMBL10539605 | 0.71 | CA12 (0.94) | — | |
| SCHEMBL9453353 | 0.69 | — | — | |
| SCHEMBL689792 | 0.69 | — | — | |
| SCHEMBL611243 | 0.69 | — | — | |
| SCHEMBL11697318 | 0.67 | — | — | |
| Ditiocarb SCHEMBL48382 | 0.67 | — | — | |
| SCHEMBL11864573 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140216555-A1 | METAL CHALCOGENIDES AND METHODS OF MAKING AND USING SAME | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2014-08-07 | — | — | US | disclosed |
| WO-2012100139-A2 | METAL CHALCOGENIDES AND METHODS OF MAKING AND USING SAME | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2012-07-26 | — | — | WO | disclosed |