⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9720498 | 0.72 | — | — | |
| SCHEMBL1087685 | 0.67 | — | — | |
| SCHEMBL1724327 | 0.67 | — | — | |
| Methane SCHEMBL28175090 | 0.64 | — | — | |
| SCHEMBL27981862 | 0.64 | — | — | |
| SCHEMBL11182920 | 0.64 | — | — | |
| SCHEMBL9803647 | 0.61 | ALDH1A1 (0.50) | — | |
| SCHEMBL3621389 | 0.61 | — | — | |
| SCHEMBL11710305 | 0.61 | — | — | |
| SCHEMBL9001565 | 0.61 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6562844-B2 | Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| EP-0585477-A1 | 1,2,4-triazole derivatives, process and intermediates for their preparation and their use as parasiticides | BASF Aktiengesellschaft (DE) | 1994-03-09 | — | — | EP | claimed |
| JP-6087839-A | — | — | None | — | — | JP | disclosed |
| CN-108350191-A | Composite material product and method for preparing said product | 斯道拉恩索公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108184891-A | A kind of sterilization agent emulsion and preparation method thereof | 陕西理工大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-106381761-A | Special paper making compound sterilizing mildew inhibitor | 浙江百斯特化工有限公司 | 2017-02-08 | — | — | CN | disclosed |
| CN-104204057-B | Thiabendazole and the stable compositions containing iodine antifungal | 朗盛德国有限责任公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105885738-A | Emulsion for rosewood two-component plate laminating glue and preparation method of emulsion | 台州学院 | 2016-08-24 | — | — | CN | disclosed |
| US-20070292465-A1 | Eutectic biocide compositions and formulations | CLARIANT INTERNATIONAL, LTD. | 2007-12-20 | — | — | US | disclosed |
| US-5663004-A | IMAGE RECORDING SHEETS WITH FUNGICIDES, RECEIVERS AND COATINGS | XEROX CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| JP-H0687839-A | 1,2,4-TRIAZOLE DERIVATIVE AND INTERMEDIATE PRODUCT FOR PREPARATION THEREOF | BASF AG | 1994-03-29 | — | — | JP | disclosed |
| EP-0585477-A1 | 1,2,4-triazole derivatives, process and intermediates for their preparation and their use as parasiticides | BASF Aktiengesellschaft (DE) | 1994-03-09 | — | — | EP | disclosed |
| EP-0585477-A1 | 1,2,4-triazole derivatives, process and intermediates for their preparation and their use as parasiticides | BASF Aktiengesellschaft (DE) | 1994-03-09 | — | — | EP | disclosed |
| EP-0189800-A2 | Compounds containing thiocyanatomethylthio groups | BAYER AG (DE) | 1986-08-06 | — | — | EP | disclosed |
| EP-0189800-A2 | Compounds containing thiocyanatomethylthio groups | BAYER AG (DE) | 1986-08-06 | — | — | EP | disclosed |
| US-4143043-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4143043-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4094880-A | BACTERICIDES AND FUNGICIDES | THE DOW CHEMICAL COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4094880-A | BACTERICIDES AND FUNGICIDES | THE DOW CHEMICAL COMPANY (US) | 1978-06-13 | — | — | US | disclosed |