⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15662895 | 0.78 | ALOX5 (0.38) | — | |
| SCHEMBL27702976 | 0.76 | — | — | |
| SCHEMBL6300043 | 0.76 | — | — | |
| SCHEMBL30063096 | 0.75 | KMT2A (0.46) | — | |
| SCHEMBL8670493 | 0.75 | HCAR2 (0.38) | — | |
| SCHEMBL357255 | 0.74 | — | — | |
| Furan-3-Carbaldehyde SCHEMBL133204 | 0.74 | — | — | |
| Furan-3-Carbaldehyde SCHEMBL27570297 | 0.73 | HCAR2 (0.45) | — | |
| SCHEMBL5321711 | 0.73 | HCAR2 (0.48) | — | |
| Furan-3-Carbaldehyde SCHEMBL27487877 | 0.72 | — | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1717230-B1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | MSD KK (JP) | 2014-08-06 | — | — | EP | disclosed |
| US-8268842-B2 | Fused ring 4-oxopyrimidine derivative | MSD K.K. (JP) | 2012-09-18 | — | — | US | disclosed |
| CN-101514141-B | Synthetic method for allyl alcohol-like compound | ASYMCHEM LIFE SCIENCE AND TECHNOLOGY TIANJIN CO LTD | 2012-06-27 | — | — | CN | disclosed |
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | JITSUOKA MAKOTO (JP) | 2012-06-14 | — | — | US | disclosed |
| US-8163770-B2 | Benzoxathiin derivative | MSD. K. K. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-8158791-B2 | Aza-substituted spiro derivatives | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| CN-101519683-B | Method for resolving and purifying chiral aromatic alcohol compound and partial intermediate products and final products thereof | ASYMCHEM LIFE SCIENCE AND TECNOLOGY (TIANJIN) CO., LTD. (CN) | 2011-12-07 | — | — | CN | disclosed |
| US-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7960402-B2 | Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20100168156-A1 | Novel Benzoxathiine Derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| CN-1070192-C | Thipyridines for use in control of helicobacter bacteria | BYK GULDEN LOMBERG CHEM FAB (DE) | 2001-08-29 | — | — | CN | disclosed |
| US-6107312-A | BACTERICIDE | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-22 | — | — | US | disclosed |
| EP-0683776-B1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEM FAB (DE) | 1999-04-07 | — | — | EP | disclosed |
| CN-1155284-A | Thipyridines for use in control of helicobacter bacteria | BYK GULDEN LOMBERG CHEM FAB (DE) | 1997-07-23 | — | — | CN | disclosed |
| EP-0764160-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-03-26 | — | — | EP | disclosed |
| US-5587389-A | Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-12-24 | — | — | US | disclosed |
| WO-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |
| WO-1995034553-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-12-21 | — | — | WO | disclosed |
| EP-0683776-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994019346-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-09-01 | — | — | WO | disclosed |