⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29373453 | 1.00 | — | — | |
| SCHEMBL33192 | 1.00 | — | — | |
| Methane SCHEMBL28208258 | 0.97 | ITGB2 (0.55) | — | |
| SCHEMBL9098245 | 0.97 | ITGB2 (0.55) | — | |
| Water SCHEMBL28018355 | 0.97 | ITGB2 (0.55) | — | |
| SCHEMBL28287702 | 0.97 | — | — | |
| SCHEMBL30335609 | 0.97 | ITGB2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL11784012 | 0.95 | ITGB2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL11794091 | 0.95 | ITGB2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL11784501 | 0.95 | ITGB2 (0.52) | — |
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 165 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466873-A | Pyrimidine compound and application thereof in medicines | 广东东阳光药业股份有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-117402185-A | Triazine compound and application thereof in medicines | 广东东阳光药业股份有限公司 | 2024-01-16 | — | — | CN | claimed |
| EP-2493877-B1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-17 | — | — | EP | claimed |
| US-20130310358-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, NV (BE) | 2013-11-21 | — | — | US | claimed |
| US-8513271-B2 | Pyrimidine compounds as delta opioid receptor modulators | JANSSEN PHARMACEUTICA, NV (BE) | 2013-08-20 | — | — | US | claimed |
| US-8106214-B2 | 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors | MERCK SERONO SA (CH) | 2012-01-31 | — | — | US | claimed |
| US-20110269759-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, NV (BE) | 2011-11-03 | — | — | US | claimed |
| US-20110105520-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, NV (BE) | 2011-05-05 | — | — | US | claimed |
| US-7732604-B2 | Triazolopyrazine derivatives | PFIZER INC. (US) | 2010-06-08 | — | — | US | claimed |
| US-20100105656-A1 | TRIAZOLOPYRAZINE DERIVATIVES | PFIZER INC. | 2010-04-29 | — | — | US | claimed |
| EP-1648452-B1 | 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS | MERCK SERONO SA (CH) | 2009-07-22 | — | — | EP | claimed |
| US-20080306057-A1 | P13K Inhibitors for the Treatment of Endometriosis | LABORATORIES SERONO SA (CH) | 2008-12-11 | — | — | US | claimed |
| US-20070021447-A1 | 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) | 2007-01-25 | — | — | US | claimed |
| JP-2007500171-A | — | — | 2007-01-11 | — | — | JP | claimed |
| EP-1648452-A1 | 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2006-04-26 | — | — | EP | claimed |
| WO-2005011686-A1 | 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) | 2005-02-10 | — | — | WO | claimed |
| US-12012373-B2 | Cannabinoid derivatives | CANOPY GROWTH CORPORATION (CA) | 2024-06-18 | — | — | US | disclosed |
| EP-4090662-B1 | PREPARATION OF BUPRENORPHINE | RIVER STONE BIOTECH APS (DK) | 2024-06-12 | — | — | EP | disclosed |
| US-20040138275-A1 | Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-07-15 | — | — | US | disclosed |
| US-20040092561-A1 | Azolidinone-vinyl fused -benzene derivatives | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2004-05-13 | — | — | US | disclosed |