⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10972004 | 0.72 | NPC1 (0.35) | — | |
| SCHEMBL3107499 | 0.72 | NPC1 (0.39) | — | |
| SCHEMBL3363996 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL13039618 | 0.66 | NPC1 (0.41) | — | |
| SCHEMBL4773759 | 0.65 | NPC1 (0.37) | — | |
| SCHEMBL10974043 | 0.63 | NPC1 (0.46) | — | |
| SCHEMBL15684095 | 0.63 | NPC1 (0.46) | — | |
| SCHEMBL10970812 | 0.62 | NPC1 (0.42) | — | |
| SCHEMBL10973763 | 0.61 | NPC1 (0.61) | — | |
| SCHEMBL13823454 | 0.61 | NPC1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8841132-B2 | Method for detecting compounds containing sulfenic acid using a 1,3-cyclohexanedione-based probe | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130288268-A1 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | UNIV WAKE FOREST HEALTH SCIENCES (US) | 2013-10-31 | — | — | US | disclosed |
| US-8486642-B2 | Method of synthesizing 1,3-cyclohexadione derived reagents useful for detection or isolation of sulfenic acid-containing compounds | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2013-07-16 | — | — | US | disclosed |
| US-20100317027-A1 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | POOLE LESLIE B | 2010-12-16 | — | — | US | disclosed |
| US-7803630-B2 | Method for detecting target compounds containing sulfenic acids using new reagents | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2010-09-28 | — | — | US | disclosed |
| US-20080070261-A1 | SULFENIC ACID-REACTIVE COMPOUNDS | WAKE FOREST UNIVERSITY HEALTH SCIENCES | 2008-03-20 | — | — | US | disclosed |
| US-7294748-B2 | Sulfenic acid-reactive compounds and their methods of synthesis | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2007-11-13 | — | — | US | disclosed |
| WO-2006044364-A2 | SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2006-04-27 | — | — | WO | disclosed |
| US-20060084173-A1 | Sulfenic acid-reactive compounds and their methods of synthesis and use in detection or isolation of sulfenic acid-containing compounds | WAKE FOREST UNIVERSITY HEALTH SCIENCES | 2006-04-20 | — | — | US | disclosed |