⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1077811 | 1.00 | — | — | |
| Ethyne SCHEMBL27995353 | 0.74 | CYP3A4 (0.83) | — | |
| SCHEMBL29351116 | 0.73 | — | — | |
| SCHEMBL5052371 | 0.73 | — | — | |
| SCHEMBL1860106 | 0.73 | — | — | |
| SCHEMBL6187 | 0.73 | — | — | |
| SCHEMBL5167521 | 0.73 | CYP3A4 (1.00) | — | |
| Cyanide SCHEMBL27534971 | 0.72 | CYP3A4 (0.77) | — | |
| Hydrochloric Acid SCHEMBL3134351 | 0.70 | CYP3A4 (0.91) | — | |
| Methane SCHEMBL21408528 | 0.70 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729938-B1 | A method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS INC (JP) | 2001-09-05 | — | — | EP | claimed |
| US-5945572-A | Method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS, INC. (JP) | 1999-08-31 | — | — | US | claimed |
| EP-0729938-A2 | A method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | claimed |
| EP-2519350-B1 | HIGHLY ACTIVE METATHESIS CATALYSIS SELECTIVE FOR ROMP AND RCM | ZANNAN SCITECH CO LTD (CN) | 2019-03-20 | — | — | EP | disclosed |
| EP-3064272-B1 | HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS | ZANNAN SCITECH CO LTD (CN) | 2018-11-28 | — | — | EP | disclosed |
| EP-3064272-A1 | HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS | Zannan Scitech Co., Ltd. (CN) | 2016-09-07 | — | — | EP | disclosed |
| EP-2519350-A1 | HIGHLY ACTIVE METATHESIS CATALYSIS SELECTIVE FOR ROMP AND RCM | Zannan Scitech Co., Ltd. (CN) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011079799-A1 | HIGHLY ACTIVE METATHESIS CATALYSIS SELECTIVE FOR ROMP AND RCM | ZANNAN SCITECH CO., LTD. (CN) | 2011-07-07 | — | — | WO | disclosed |
| WO-2011079439-A1 | HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS | ZANNAN SCITECH CO., LTD. (CN) | 2011-07-07 | — | — | WO | disclosed |
| US-6841661-B2 | Glycopeptide antibacterial compounds, compositions containing same and methods of using same | PRINCETON UNIVERISITY (US) | 2005-01-11 | — | — | US | disclosed |
| US-6498238-B1 | Glycopeptide antibacterial compounds, compositions containing same and methods of using same | PRINCETON UNIVERSITY | 2002-12-24 | — | — | US | disclosed |
| EP-0729938-B1 | A method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS INC (JP) | 2001-09-05 | — | — | EP | disclosed |
| US-6028193-A | CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR | MITSUI CHEMICALS, INC. (JP) | 2000-02-22 | — | — | US | disclosed |
| US-5945572-A | Method for producing aryl alkyl hydroperoxides | MITSUI CHEMICALS, INC. (JP) | 1999-08-31 | — | — | US | disclosed |
| US-5847227-A | Method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0729938-A2 | A method for producing aryl alkyl hydroperoxides | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |
| EP-0257433-A2 | Method for the preparation of quinoline-2,3-dicarboxylic acid | AMERICAN CYANAMID COMPANY (US) | 1988-03-02 | — | — | EP | disclosed |
| EP-0236605-A1 | Method for the assay of immunoglobulin A protease | MABGON TEST COMPANY (US) | 1987-09-16 | — | — | EP | disclosed |
| US-3956312-A | ANTISECRETORY AGENT | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1976-05-11 | — | — | US | disclosed |