⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19353015 | 0.80 | — | — | |
| SCHEMBL514987 | 0.72 | — | — | |
| SCHEMBL13039042 | 0.69 | — | — | |
| Dimethyl Sulfoxide SCHEMBL619881 | 0.68 | — | — | |
| SCHEMBL11844063 | 0.67 | — | — | |
| SCHEMBL40833 | 0.67 | — | — | |
| SCHEMBL18976585 | 0.67 | — | — | |
| Dimethyl Sulfoxide SCHEMBL19924191 | 0.67 | — | — | |
| SCHEMBL17675714 | 0.67 | — | — | |
| SCHEMBL14412967 | 0.67 | — | — |
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-20170210761-A1 | 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-07-27 | — | — | US | disclosed |
| US-20170029442-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | ACEA Therapeutics, Inc. | 2017-02-02 | — | — | US | disclosed |
| US-20130136794-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | PEKING UNIVERSITY (CN) | 2013-05-30 | — | — | US | disclosed |
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | disclosed |