⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992212 | 0.69 | MLYCD (0.49) | — | |
| SCHEMBL1445463 | 0.63 | MLYCD (0.36) | — | |
| SCHEMBL2991972 | 0.62 | MLYCD (0.38) | — | |
| SCHEMBL16820199 | 0.54 | — | — | |
| SCHEMBL1599340 | 0.53 | HDAC6 (0.54) | — | |
| SCHEMBL1599083 | 0.53 | MEN1 (0.34) | — | |
| SCHEMBL11666741 | 0.53 | CYP19A1 (0.47) | — | |
| SCHEMBL20273004 | 0.50 | — | — | |
| SCHEMBL19507047 | 0.50 | PSEN1 (0.37) | — | |
| SCHEMBL31118668 | 0.49 | PSEN1 (0.34) | — |
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-20100137371-A1 | Novel Pharmaceutical Compounds | MERCK FROSST CANADA LTD. (CA) | 2010-06-03 | — | — | US | disclosed |
| US-20100137371-A1 | Novel Pharmaceutical Compounds | MERCK FROSST CANADA LTD. (CA) | 2010-06-03 | — | — | US | disclosed |
| US-7439260-B2 | 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FORSST CANADA & CO. (CA) | 2008-10-21 | — | — | US | disclosed |
| US-7439260-B2 | 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FORSST CANADA & CO. (CA) | 2008-10-21 | — | — | US | disclosed |