⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11961978 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL69344 | 0.73 | ESR1 (1.00) | — | |
| SCHEMBL36454 | 0.73 | ESR1 (1.00) | — | |
| SCHEMBL2969737 | 0.73 | ESR1 (1.00) | — | |
| SCHEMBL3873458 | 0.73 | ESR1 (1.00) | — | |
| SCHEMBL883553 | 0.71 | — | — | |
| Parahydroxybenzyl Alcohol SCHEMBL62690 | 0.71 | — | — | |
| Hydroquinone SCHEMBL15516 | 0.71 | — | — | |
| Hydroquinone SCHEMBL460669 | 0.71 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL11511669 | 0.71 | ALOX15 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054695-A1 | NTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE | JAMES MADISON INNOVATIONS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2011133385-A2 | NOVEL ETHER-BASED COMPOUNDS AND THEIR USE | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2011-10-27 | — | — | WO | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| US-7833690-B2 | Photoacid generators and lithographic resists comprising the same | THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090175888-A1 | METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE | MEDAREX, INC. (US) | 2009-07-09 | — | — | US | disclosed |
| US-20070117043-A1 | Photoacid generators and lithographic resists comprising the same | NATIONAL SCIENCE FOUNDATION | 2007-05-24 | — | — | US | disclosed |