⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11253053 | 0.86 | CA1 (0.41) | — | |
| SCHEMBL14302600 | 0.76 | NOS3 (0.38) | — | |
| SCHEMBL3198754 | 0.75 | — | — | |
| SCHEMBL16944002 | 0.74 | — | — | |
| SCHEMBL16323044 | 0.74 | — | — | |
| SCHEMBL20746050 | 0.74 | — | — | |
| SCHEMBL16322012 | 0.74 | — | — | |
| SCHEMBL13845754 | 0.73 | NPC1 (0.37) | — | |
| (-)-Piperitone SCHEMBL1248697 | 0.71 | TLR4 (0.40) | — | |
| (-)-Piperitone SCHEMBL3508682 | 0.71 | TLR4 (0.40) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117412735-A | Composition for limiting, reducing or eliminating malodour associated with plastics material | 弗门尼舍有限公司 | 2024-01-16 | — | — | CN | 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 | 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-117412735-A | Composition for limiting, reducing or eliminating malodour associated with plastics material | 弗门尼舍有限公司 | 2024-01-16 | — | — | CN | disclosed |
| 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 |
| 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-2607340-B1 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA INC (US) | 2017-09-06 | — | — | EP | 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-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 |
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |
| WO-1993007119-A1 | NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 1993-04-15 | — | — | WO | disclosed |