⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL370747 | 1.00 | — | — | |
| SCHEMBL2945693 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL15820997 | 0.87 | ALDH1A1 (0.44) | — | |
| Acetone SCHEMBL2749035 | 0.85 | LMNA (0.42) | — | |
| Acetone SCHEMBL4780811 | 0.85 | LMNA (0.42) | — | |
| Nitric Acid SCHEMBL4093043 | 0.81 | CA5A (0.40) | — | |
| SCHEMBL39040 | 0.79 | — | — | |
| Hydrogen Sulfide SCHEMBL28083346 | 0.75 | — | — | |
| 2,3-Dibromopropanol SCHEMBL9843063 | 0.74 | ALDH1A1 (0.77) | — | |
| Glycerin SCHEMBL8080917 | 0.74 | LMNA (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6316233-B2 | GENERATING PREFERENTIALLY HALOGENATED COMPOUNDS USING PSEUDOMONAS; CULTURE CELLS, MIX WITH HALOGENATED SUBSTRATE, ISOLATED PREFERENTIALLY HALOGENATED COMPOUNDS | DAISO CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |
| WO-2012145328-A1 | DIBENZYLPHENYL COMPOUNDS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2012-10-26 | — | — | WO | disclosed |
| WO-2011082487-A1 | BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS | BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) | 2011-07-14 | — | — | WO | disclosed |
| US-7750040-B2 | G protein-coupled receptor S1P1/EDG1 agonists; low dosage, long lasting immunosuppressive effect; such as 1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalene-4-carboxylic acid 2,4-dimethoxy-benzylamide | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-06 | — | — | US | disclosed |
| EP-1805163-B1 | 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-10-01 | — | — | EP | disclosed |
| US-7390825-B1 | Process for the preparation of oxazolidinones and method of use thereof | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2008-06-24 | — | — | US | disclosed |
| US-20080146458-A1 | PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2008-06-19 | — | — | US | disclosed |
| US-20080064740-A1 | Novel Thiophene Derivatives | ACTELION PHARMACEUTICALS, LTD. (CH) | 2008-03-13 | — | — | US | disclosed |
| US-20070265451-A1 | Process for the preparation of oxazolidinones and method of use thereof | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2007-11-15 | — | — | US | disclosed |
| EP-1805163-A2 | 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA¬A|PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2007-07-11 | — | — | EP | disclosed |
| US-6005107-A | Antiviral compounds | BIOCHEM PHARMA, INC. (CA) | 1999-12-21 | — | — | US | disclosed |
| US-5955610-A | COUPLING PHOSPHONATE INTERMEDIATE WITH PURINE OR PYRIMIDINE NUCLEOTIDE BASE | BIOCHEM PHARMA, INC. (CA) | 1999-09-21 | — | — | US | disclosed |
| US-5846793-A | Microbial process for biotransformation to (R)-3-chloro-1,2-propanediol | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-12-08 | — | — | US | disclosed |
| US-5789394-A | VIRICIDES FOR CYTOMEGALOVIRUS USING NUCLEOTIDES | NGUYEN-BA NGHE (CA) | 1998-08-04 | — | — | US | disclosed |
| EP-0435551-B1 | Process for preparation S-(+)-3 halogeno-1,2-propanediol by treatment with microorganism | DAISO CO LTD (JP) | 1995-08-30 | — | — | EP | disclosed |
| US-5212089-A | Biosynthesis | DAISO CO., LTD. (JP) | 1993-05-18 | — | — | US | disclosed |
| EP-0286059-B1 | PROCESS FOR PREPARING (R)-3-CHLORO-1, 2-PROPANEDIOL | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1992-07-01 | — | — | EP | disclosed |
| EP-0435551-A2 | Process for preparation S-(+)-3 halogeno-1,2-propanediol by treatment with microorganism | Daiso Co., Ltd. (JP) | 1991-07-03 | — | — | EP | disclosed |
| EP-0333142-A2 | Process for the preparation of (R)-glycidyl esters | LONZA AG (CH) | 1989-09-20 | — | — | EP | disclosed |
| EP-0286059-A1 | Process for preparing (R)-3-Chloro-1, 2-Propanediol | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-10-12 | — | — | EP | disclosed |