⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992041 | 0.72 | — | — | |
| Iodide SCHEMBL9721836 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL5359711 | 0.71 | — | — | |
| Iodide SCHEMBL11020380 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1452996 | 0.67 | — | — | |
| Bromide SCHEMBL9810690 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10418030 | 0.64 | — | — | |
| SCHEMBL44994 | 0.63 | — | — | |
| SCHEMBL10416601 | 0.62 | — | — | |
| Perfluorocyclobutane SCHEMBL8841181 | 0.59 | MEN1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015018855-A1 | PENTAFLUOROETHYLATING COMPOSITIONS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2015-02-12 | — | — | WO | disclosed |
| EP-2835374-A1 | Pentafluoroethylating compositions | Fundació Institut Català d'Investigació Química (ES) | 2015-02-11 | — | — | EP | disclosed |
| US-20040049072-A1 | RXR modulators with improved pharmacologic profile | LIGAND PHARMACEUTICALS INC | 2004-03-11 | — | — | US | disclosed |
| US-6593493-B1 | 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes | LIGAND PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| EP-1216221-A2 | RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001019770-A2 | RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2001-03-22 | — | — | WO | disclosed |