⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1050198 | 0.78 | NOS3 (0.63) | — | |
| SCHEMBL7489 | 0.78 | — | — | |
| SCHEMBL9472907 | 0.78 | NOS3 (0.63) | — | |
| SCHEMBL19816355 | 0.76 | NOS3 (0.60) | — | |
| Iodide SCHEMBL20816339 | 0.76 | NOS3 (0.60) | — | |
| Fluoride SCHEMBL893225 | 0.76 | NOS3 (0.60) | — | |
| Hydrogen Sulfide SCHEMBL5051773 | 0.76 | NOS3 (0.60) | — | |
| SCHEMBL487353 | 0.76 | NOS3 (0.60) | — | |
| Hydrochloric Acid SCHEMBL458427 | 0.76 | NOS3 (0.60) | — | |
| Bromide SCHEMBL10623440 | 0.76 | NOS3 (0.60) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183239-B2 | Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-22 | — | — | US | claimed |
| US-7547713-B2 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2009-06-16 | — | — | US | claimed |
| EP-1948629-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-30 | — | — | EP | claimed |
| WO-2007053436-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-10 | — | — | WO | claimed |
| US-20070100141-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | US | claimed |
| US-20060111405-A1 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2006-05-25 | — | — | US | claimed |
| US-8183239-B2 | Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-22 | — | — | US | disclosed |
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| US-7547713-B2 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2009-06-16 | — | — | US | disclosed |
| US-20090062267-A1 | L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2009-03-05 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008125811-A1 | N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-10-23 | — | — | WO | disclosed |
| US-20080255183-A1 | N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008093064-A1 | L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| US-20080182842-A1 | L-alanine derivatives as a5beta1 antagonists | ASTRAZENECA AB (SE) | 2008-07-31 | — | — | US | disclosed |
| EP-1948629-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-30 | — | — | EP | disclosed |
| US-20080045521-A1 | PHENYLALANINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| WO-2007053436-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-10 | — | — | WO | disclosed |
| US-20070100141-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | US | disclosed |
| US-20060111405-A1 | O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives | GU LIANQUAN | 2006-05-25 | — | — | US | disclosed |