⚠ 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 | |
|---|---|---|---|---|
| 1,2,3-Trichloropropane SCHEMBL19623 | 0.74 | — | — | |
| SCHEMBL17041948 | 0.72 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL28332200 | 0.70 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9165802 | 0.70 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL9420254 | 0.70 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL5060026 | 0.70 | — | — | |
| SCHEMBL28867860 | 0.69 | — | — | |
| SCHEMBL3339709 | 0.67 | — | — | |
| SCHEMBL7516996 | 0.67 | TP53 (0.50) | — | |
| SCHEMBL2003680 | 0.67 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013090354-A1 | PROCESS FOR THE PRODUCTION OF CHLORINATED AND/OR BROMINATED PROPANES AND/OR PROPENES | DOW GLOBAL TECHNOLOGIES, LLC (US) | 2013-06-20 | — | — | WO | claimed |
| CN-107186637-B | Medical antibacterial tweezers with easily-replaceable heads | 任仲喜 | 2021-05-04 | — | — | CN | disclosed |
| US-20160331727-A9 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-11-17 | — | — | US | disclosed |
| US-20160000757-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-01-07 | — | — | US | disclosed |
| US-9072729-B2 | Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-07-07 | — | — | US | disclosed |
| WO-2013090354-A1 | PROCESS FOR THE PRODUCTION OF CHLORINATED AND/OR BROMINATED PROPANES AND/OR PROPENES | DOW GLOBAL TECHNOLOGIES, LLC (US) | 2013-06-20 | — | — | WO | disclosed |
| US-20110178040-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-07-21 | — | — | US | disclosed |
| EP-2249832-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | Agency for Science, Technology And Research (SG) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009096905-A1 | METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-08-06 | — | — | WO | disclosed |
| EP-0987259-B1 | PROCESS FOR EPOXYDATION OF OLEFINIC COMPOUNDS WITH HYDROGEN PEROXIDE | REPSOL QUIMICA SA (ES) | 2002-06-19 | — | — | EP | disclosed |
| US-6160138-A | Process for epoxydation of olefinic compounds with hydrogen peroxide | REPSOL QUIMICA, S.A. (ES) | 2000-12-12 | — | — | US | disclosed |
| EP-0987259-A1 | PROCESS FOR EPOXYDATION OF OLEFINIC COMPOUNDS WITH HYDROGEN PEROXIDE | REPSOL QUIMICA S.A. (ES) | 2000-03-22 | — | — | EP | disclosed |
| US-4086278-A | 1-ALKENYL THIOETHERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |
| US-4075006-A | PESTICIDES, NEMATOCIDES, FUNGICIDES | PPG INDUSTRIES, INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4061645-A | FUNGICIDE, NEMATOCIDE | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |
| US-4005213-A | 2,5-Substituted-1,3,4-thiadiazoles as fungicides | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-01-25 | — | — | US | disclosed |