⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27748077 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL7042323 | 0.80 | — | — | |
| SCHEMBL83830 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL812149 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL13310465 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL812166 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL715386 | 0.78 | TP53 (0.57) | — | |
| SCHEMBL23030253 | 0.78 | CYP2C19 (0.59) | — | |
| SCHEMBL8484293 | 0.76 | — | — | |
| SCHEMBL14595121 | 0.75 | ALDH1A1 (0.42) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120064611-A1 | Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2012-03-15 | — | — | US | disclosed |
| EP-2419519-A1 | PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE | Isis Innovation Limited (GB) | 2012-02-22 | — | — | EP | disclosed |
| EP-2408927-A1 | PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2012-01-25 | — | — | EP | disclosed |
| US-7955852-B2 | Expansion of renewable stem cell populations | GAMIDA CELL LTD. (IL) | 2011-06-07 | — | — | US | disclosed |
| US-20110033427-A1 | Expansion Of Renewable Stem Cell Populations | GAMIDA CELL LTD. (IL) | 2011-02-10 | — | — | US | disclosed |
| WO-2010105851-A1 | PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-23 | — | — | WO | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| US-7608646-B1 | Polymer-encapsulated pigment with bridging layer | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20090078384-A1 | Esterases from rumen | HELMHOLTZZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) | 2009-03-26 | — | — | US | disclosed |
| EP-0138403-B1 | PROCESS FOR PREPARING PHOSPHINIC ACID INTERMEDIATES | E.R. Squibb & Sons, Inc. (US) | 1989-03-15 | — | — | EP | disclosed |
| US-4002730-A | Radionuclide carriers | THE PROCTER & GAMBLE COMPANY (US) | 1977-01-11 | — | — | US | disclosed |