⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7493836 | 0.80 | — | — | |
| SCHEMBL18826040 | 0.78 | CES2 (0.52) | — | |
| SCHEMBL3379216 | 0.75 | CES2 (0.48) | — | |
| SCHEMBL3379219 | 0.75 | CES2 (0.48) | — | |
| SCHEMBL5946070 | 0.75 | — | — | |
| SCHEMBL5432309 | 0.75 | — | — | |
| SCHEMBL8182714 | 0.74 | CES2 (1.00) | — | |
| SCHEMBL2166098 | 0.74 | CES2 (0.71) | — | |
| SCHEMBL3309285 | 0.74 | LCK (0.55) | — | |
| SCHEMBL3309282 | 0.74 | LCK (0.55) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117777057-A | Synthesis method of chiral gamma-amino alcohol | 湖州学院 | 2024-03-29 | — | — | CN | disclosed |
| CN-115403495-A | Method for synthesizing chiral 1, 3-mercaptan | 陕西师范大学 | 2022-11-29 | — | — | CN | disclosed |
| US-9583717-B2 | Compounds for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2017-02-28 | — | — | US | disclosed |
| US-9583717-B2 | Compounds for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2017-02-28 | — | — | US | disclosed |
| US-9382253-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-07-05 | — | — | US | disclosed |
| US-20140138661-A1 | COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | US | disclosed |
| US-20140138661-A1 | COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | US | disclosed |
| EP-1827444-B1 | MNK1 OR MNK2 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-20130112921-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| WO-2013007348-A1 | COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2013-01-17 | — | — | WO | disclosed |
| EP-2279750-A1 | ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY | KinoPharma, Inc. (JP) | 2011-02-02 | — | — | EP | disclosed |
| EP-1414802-B1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2006-04-26 | — | — | EP | disclosed |
| US-6887871-B2 | Use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2005-05-03 | — | — | US | disclosed |
| EP-1263711-B1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-12-15 | — | — | EP | disclosed |
| US-20040176422-A1 | Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | ASTRAZENECA AB (SE) | 2004-09-09 | — | — | US | disclosed |
| EP-1414802-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| US-20030158185-A1 | Novel use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2003-08-21 | — | — | US | disclosed |
| WO-2003011830-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | disclosed |