⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1632482 | 0.96 | — | — | |
| SCHEMBL27294991 | 0.80 | — | — | |
| SCHEMBL27290476 | 0.80 | — | — | |
| SCHEMBL29210428 | 0.63 | — | — | |
| SCHEMBL1612976 | 0.61 | — | — | |
| SCHEMBL27926356 | 0.58 | — | — | |
| SCHEMBL3069575 | 0.58 | — | — | |
| SCHEMBL9500691 | 0.58 | — | — | |
| SCHEMBL9921412 | 0.56 | — | — | |
| Propylene Oxide SCHEMBL27305299 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595337-B2 | 2-Carbonyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole derivatives such as 2-acetyl-8-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole and 3S,3aS)-2-acetyl-8-chloro-7-methyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole that are useful for treating cancer | MERCK & CO. INC. (US) | 2009-09-29 | — | — | US | disclosed |
| US-20080182843-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-07-31 | — | — | US | disclosed |
| EP-1851213-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006086358-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2006-08-17 | — | — | WO | disclosed |