⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL558033 | 0.75 | — | — | |
| SCHEMBL29682792 | 0.75 | — | — | |
| SCHEMBL22872045 | 0.75 | — | — | |
| SCHEMBL14865286 | 0.75 | — | — | |
| SCHEMBL1494048 | 0.75 | — | — | |
| SCHEMBL19313257 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28160401 | 0.73 | NOS3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27632604 | 0.73 | NOS3 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL5132889 | 0.73 | NOS3 (0.46) | — | |
| SCHEMBL3253375 | 0.71 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3441392-A1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | Intellikine, LLC (US) | 2019-02-13 | — | — | EP | disclosed |
| CN-107636216-A | Isolation of semiconductor single-walled nanotube or metallic single-wall nanotube and its method | 小利兰·斯坦福大学托管委员会 | 2018-01-26 | — | — | CN | disclosed |
| US-9738644-B2 | Chemical compounds, compositions and methods for kinase modulation | INFINITY PHARMACEUTICALS, INC. (US) | 2017-08-22 | — | — | US | disclosed |
| EP-2748167-B1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-03-01 | — | — | EP | disclosed |
| US-20160016957-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. | 2016-01-21 | — | — | US | disclosed |
| US-9181221-B2 | Chemical compounds, compositions and methods for kinase modulation | INFINITY PHARMACEUTICALS, INC. (US) | 2015-11-10 | — | — | US | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | US | disclosed |
| US-20140088099-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8557996-B2 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. (US) | 2013-10-15 | — | — | US | disclosed |
| EP-1802586-B1 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC (US) | 2013-04-24 | — | — | EP | disclosed |
| US-7776869-B2 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. (US) | 2010-08-17 | — | — | US | disclosed |
| US-20100160283-A1 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |
| EP-1802586-A2 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | Amgen Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| US-20060217380-A1 | Heteroaryl-substituted alkyne compounds and method of use | AMGEN INC. | 2006-09-28 | — | — | US | disclosed |
| WO-2006044823-A2 | HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE | AMGEN INC. (US) | 2006-04-27 | — | — | WO | disclosed |