⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19983135 | 0.79 | SIGMAR1 (0.31) | — | |
| SCHEMBL18331589 | 0.79 | — | — | |
| SCHEMBL12072033 | 0.79 | — | — | |
| SCHEMBL13798596 | 0.79 | — | — | |
| SCHEMBL25949593 | 0.78 | — | — | |
| SCHEMBL10041843 | 0.78 | — | — | |
| SCHEMBL29320555 | 0.75 | HSD17B10 (0.32) | — | |
| SCHEMBL4471926 | 0.74 | — | — | |
| SCHEMBL14175036 | 0.74 | — | — | |
| SCHEMBL19983023 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017139414-A1 | INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) | INVENTISBIO INC. (KY) | 2017-08-17 | — | — | WO | disclosed |
| EP-2697199-B1 | ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS | EPIZYME INC (US) | 2016-06-08 | — | — | EP | disclosed |
| CN-104737256-A | Electrolyte salt and electrolyte for electricity storage device, and electricity storage device | NISSHINBO HOLDINGS INC | 2015-06-24 | — | — | CN | disclosed |
| WO-2014100719-A2 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| CN-1914700-B | Electric double layer capacitor | NISSHIN SPINNING | 2010-11-24 | — | — | CN | disclosed |
| WO-2010114179-A1 | 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-10-07 | — | — | WO | disclosed |
| CN-1914700-A | Electric double layer capacitor | NISSHIN SPINNING (JP) | 2007-02-14 | — | — | CN | disclosed |