⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3989012 | 1.00 | — | — | |
| SCHEMBL13909490 | 0.76 | — | — | |
| SCHEMBL19113522 | 0.76 | — | — | |
| SCHEMBL2507037 | 0.74 | — | — | |
| SCHEMBL4701444 | 0.73 | TLR4 (0.30) | — | |
| SCHEMBL3986049 | 0.73 | TLR4 (0.36) | — | |
| SCHEMBL11577749 | 0.73 | TLR4 (0.33) | — | |
| SCHEMBL3992652 | 0.73 | TLR4 (0.47) | — | |
| SCHEMBL13992142 | 0.73 | DDB1 (0.30) | — | |
| SCHEMBL3986044 | 0.73 | TLR4 (0.36) | — |
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 27 patents — showing the first 20. 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-117567280-A | Preparation method of 3, 4-dihydroxy-2-methyl benzoate | 浙江瑞博制药有限公司 | 2024-02-20 | — | — | 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-3190121-A1 | METHODS FOR STEREOSELECTIVE REDUCTION OF CYCLOPAMINE 4-EN-3-ONE DERIVATIVE | Infinity Pharmaceuticals, Inc. (US) | 2017-07-12 | — | — | EP | disclosed |
| US-8716479-B2 | Methods for stereoselective reduction | INFINITY PHARMACEUTICALS, INC. (US) | 2014-05-06 | — | — | 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-20110009442-A1 | METHODS FOR STEREOSELECTIVE REDUCTION | ROYALTY SECURITY, LLC | 2011-01-13 | — | — | US | disclosed |
| US-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |
| EP-1613357-B1 | GONADOTROPIN RELEASING HORMONE ANALOGUE CONJUGATES WITH STEROID HORMONES | MEDICAL RES COUNCIL (GB) | 2008-10-15 | — | — | EP | disclosed |
| US-7166593-B2 | Glucocorticoid receptor modulators | PFIZER, INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | US | disclosed |