⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12819357 | 0.79 | — | — | |
| SCHEMBL5604442 | 0.78 | — | — | |
| SCHEMBL350156 | 0.75 | — | — | |
| SCHEMBL11661421 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL4587168 | 0.70 | — | — | |
| SCHEMBL8276450 | 0.68 | — | — | |
| SCHEMBL2481875 | 0.67 | SLC6A4 (0.32) | — | |
| SCHEMBL5108597 | 0.67 | LTA4H (0.41) | — | |
| SCHEMBL5604498 | 0.67 | — | — | |
| SCHEMBL7276585 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102498099-A | HSL inhibitors useful in the treatment of diabetes | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| US-8071768-B2 | Alkylquinoline and alkylquinazoline kinase modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2011-12-06 | — | — | US | disclosed |
| US-20070004932-A1 | Silicon compound and a production process for silicon compound | JNC CORPORATION (JP) | 2007-01-04 | — | — | US | disclosed |
| US-20060281772-A1 | ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-12-14 | — | — | US | disclosed |
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |