⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26965734 | 1.00 | — | — | |
| SCHEMBL11386731 | 0.82 | TDP1 (0.38) | — | |
| SCHEMBL11386727 | 0.82 | TDP1 (0.38) | — | |
| SCHEMBL26457505 | 0.82 | TDP1 (0.38) | — | |
| SCHEMBL14394178 | 0.82 | TDP1 (0.38) | — | |
| SCHEMBL28671075 | 0.80 | TDP1 (0.36) | — | |
| SCHEMBL27365750 | 0.77 | TDP1 (0.43) | — | |
| SCHEMBL14706974 | 0.77 | — | — | |
| SCHEMBL10284176 | 0.74 | — | — | |
| SCHEMBL1082005 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016146074-A1 | HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | 广东众生药业股份有限公司 | 2016-09-22 | — | — | WO | disclosed |
| EP-2975027-A1 | NICOTINAMIDES AS JAK KINASE MODULATORS | Portola Pharmaceuticals, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014036022-A1 | QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |