⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24890649 | 1.00 | — | — | |
| SCHEMBL10278974 | 1.00 | — | — | |
| SCHEMBL16384538 | 0.80 | — | — | |
| SCHEMBL16333743 | 0.80 | — | — | |
| SCHEMBL15930270 | 0.80 | — | — | |
| SCHEMBL16334381 | 0.80 | — | — | |
| SCHEMBL18432852 | 0.74 | — | — | |
| SCHEMBL10024035 | 0.70 | — | — | |
| SCHEMBL15681520 | 0.70 | — | — | |
| SCHEMBL12334962 | 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3786144-B1 | PRODUCTION METHOD FOR 1,4-BUTANEDIOL | MITSUBISHI CHEM CORP (JP) | 2023-09-06 | — | — | EP | disclosed |
| EP-3786144-A1 | PRODUCTION METHOD FOR 1,4-BUTANEDIOL | Mitsubishi Chemical Corporation (JP) | 2021-03-03 | — | — | EP | disclosed |
| EP-3517521-B1 | PRODUCTION METHOD FOR 1,4-BUTANEDIOL | MITSUBISHI CHEM CORP (JP) | 2020-12-09 | — | — | EP | disclosed |
| US-10450404-B2 | Production methods of polyester and polyurethane | MITSUBISHI CHEMICAL CORPORATION (JP) | 2019-10-22 | — | — | US | disclosed |
| EP-3517521-A1 | PRODUCTION METHOD FOR 1,4-BUTANEDIOL | Mitsubishi Chemical Corporation (JP) | 2019-07-31 | — | — | EP | disclosed |
| EP-2857377-B1 | PRODUCTION METHOD FOR 1, 4-BUTANEDIOL | MITSUBISHI CHEM CORP (JP) | 2019-05-08 | — | — | EP | disclosed |
| CN-104789357-A | Simulation preparation method of natural concentrated vanilla | DROM FRAGRANCES GUANGZHOU CO LTD | 2015-07-22 | — | — | CN | disclosed |
| WO-2015068773-A1 | NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND | 石原産業株式会社 | 2015-05-14 | — | — | WO | disclosed |
| EP-2862886-A1 | POLYESTER AND POLYURETHANE PRODUCTION METHOD | Mitsubishi Chemical Corporation (JP) | 2015-04-22 | — | — | EP | disclosed |
| EP-2857377-A1 | PRODUCTION METHOD FOR 1, 4-BUTANEDIOL | Mitsubishi Chemical Corporation (JP) | 2015-04-08 | — | — | EP | disclosed |
| US-8440870-B2 | One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels | THE PENN STATE RESEARCH FOUNDATION (US) | 2013-05-14 | — | — | US | disclosed |
| US-20110282079-A1 | One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels | THE PENN STATE RESEARCH FOUNDATION (US) | 2011-11-17 | — | — | US | disclosed |
| CN-1989104-B | Cyclic amide derivatives, their preparation and their use as antithrombotic agents | TAKEDA PHARMACEUTICAL | 2011-07-13 | — | — | CN | disclosed |
| CN-102093285-A | Cyclic amide derivatives, and their production and use as antithrombotic agents | TAKEDA PHARMACEUTICAL | 2011-06-15 | — | — | CN | disclosed |
| US-20100307050-A1 | One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels | THE PENN STATE RESEARCH FOUNDATION (US) | 2010-12-09 | — | — | US | disclosed |
| CN-101198745-A | A process for organosolv pulping and use of a gamma lactone in a solvent for organosolv pulping | SHELL INT RESEARCH (NL) | 2008-06-11 | — | — | CN | disclosed |
| CN-1989104-A | Cyclic amide derivatives, their preparation and their use as antithrombotic agents | TAKEDA PHARMACEUTICAL (JP) | 2007-06-27 | — | — | CN | disclosed |
| EP-0974602-B1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR CORP (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-6291596-B1 | CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT | JSR CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0974602-A1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR Corporation (JP) | 2000-01-26 | — | — | EP | disclosed |