⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24282405 | 0.74 | — | — | |
| Propane SCHEMBL1470165 | 0.74 | — | — | |
| SCHEMBL22475383 | 0.74 | — | — | |
| SCHEMBL737387 | 0.74 | — | — | |
| SCHEMBL20458571 | 0.74 | — | — | |
| SCHEMBL22269143 | 0.70 | — | — | |
| Fluoride SCHEMBL20806649 | 0.70 | — | — | |
| Butane SCHEMBL1470214 | 0.70 | — | — | |
| SCHEMBL19646478 | 0.67 | — | — | |
| Alcohol SCHEMBL28313336 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017144183-A1 | NOVEL POTASSIUM CHANNEL INHIBITORS | ACESION PHARMA APS (DK) | 2017-08-31 | — | — | WO | disclosed |
| CN-104861852-A | Method for preparing flame-retardant water-based polyurethane coating and adhesive for building | ZHU MINGDE | 2015-08-26 | — | — | CN | disclosed |
| WO-2015051141-A1 | METHODS FOR PREPARATION OF FLUORINATED SULFUR-CONTAINING COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2015-04-09 | — | — | WO | disclosed |
| US-20050010044-A1 | Polysaccharides and methods and intermediates useful for their preparation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-01-13 | — | — | US | disclosed |
| WO-2005000907-A1 | SULFO-PROTECTED POLYSACCHARIDES AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2005-01-06 | — | — | WO | disclosed |
| US-6140508-A | USEFUL IN THE PREPARATION OF FARNESYL-PROTEIN TRANSFERASE INHIBITORS. | MERCK & CO., INC. (US) | 2000-10-31 | — | — | US | disclosed |
| WO-2000001691-A1 | PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-2000001674-A1 | PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| EP-0645355-A1 | Method for the preparation of trifluoroethyl sulphur compounds from thiolates and 1-chloro-2,2,2-trifluoroethane | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-03-29 | — | — | EP | disclosed |