⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14300896 | 1.00 | — | — | |
| SCHEMBL14476264 | 1.00 | — | — | |
| SCHEMBL14453575 | 0.85 | — | — | |
| SCHEMBL13845440 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL7601852 | 0.78 | — | — | |
| SCHEMBL23912499 | 0.76 | INPP5A (0.31) | — | |
| SCHEMBL13429400 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL27334797 | 0.76 | — | — | |
| SCHEMBL24920274 | 0.76 | INPP5A (0.31) | — | |
| SCHEMBL26049218 | 0.76 | ALDH1A1 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170101397-A1 | PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES | Grünenthal GmbH (DE) | 2017-04-13 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| EP-2447264-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | US | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |
| EP-2243779-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2010-10-27 | — | — | EP | disclosed |