⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1072882 | 0.74 | — | — | |
| SCHEMBL15418787 | 0.73 | USP2 (0.30) | — | |
| SCHEMBL15418333 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL6844884 | 0.72 | OPRD1 (0.46) | — | |
| SCHEMBL20969068 | 0.72 | — | — | |
| SCHEMBL20969229 | 0.72 | — | — | |
| SCHEMBL15418708 | 0.72 | NOS1 (0.32) | — | |
| SCHEMBL435682 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL9872700 | 0.66 | OPRD1 (0.37) | — | |
| SCHEMBL3208668 | 0.63 | PSEN1 (0.30) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | claimed |
| CN-108191599-B | Four-membered ring fuel molecule and photochemical preparation method thereof | 天津大学 | 2020-08-04 | — | — | CN | claimed |
| US-10689309-B1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-23 | — | — | US | claimed |
| US-20200181040-A1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-11 | — | — | US | claimed |
| WO-2020010494-A1 | FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF | 天津大学 | 2020-01-16 | — | — | WO | claimed |
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| CN-108191599-B | Four-membered ring fuel molecule and photochemical preparation method thereof | 天津大学 | 2020-08-04 | — | — | CN | disclosed |
| US-10689309-B1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-23 | — | — | US | disclosed |
| US-20200181040-A1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-11 | — | — | US | disclosed |
| WO-2020010494-A1 | FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF | 天津大学 | 2020-01-16 | — | — | WO | disclosed |
| EP-2687586-B1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | SYMRISE AG (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-9067905-B2 | Sulphone compounds and methods of making and using same | ZAFGEN, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-20140023770-A1 | Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition | SYMRISE AG (DE) | 2014-01-23 | — | — | US | disclosed |
| EP-2687586-A1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | Symrise AG (DE) | 2014-01-22 | — | — | EP | disclosed |
| US-20130053364-A1 | Sulphone Compounds and Methods of Making and Using Same | ZAFGEN, INC. | 2013-02-28 | — | — | US | disclosed |