⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15418559 | 0.83 | — | — | |
| SCHEMBL13995783 | 0.76 | — | — | |
| SCHEMBL9999339 | 0.73 | — | — | |
| SCHEMBL15418586 | 0.69 | — | — | |
| SCHEMBL21616451 | 0.67 | NOS3 (0.33) | — | |
| SCHEMBL21531007 | 0.67 | NOS3 (0.33) | — | |
| SCHEMBL13947321 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL21616457 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL12908953 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL14773017 | 0.61 | — | — |
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-108865298-B | Fused ring alkane fuel and photocatalytic preparation method thereof | 天津大学 | 2019-07-26 | — | — | CN | claimed |
| CN-108865298-A | Fused ring alkane fuel and photocatalytic preparation method thereof | 天津大学 | 2018-11-23 | — | — | CN | claimed |
| CN-108191599-A | A kind of four-membered ring fuel molecule and its photochemical method for preparation | 天津大学 | 2018-06-22 | — | — | 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 | 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 |
| US-6833481-B2 | Catalytic dehydrative isomerization | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-12-21 | — | — | US | disclosed |
| US-20030109755-A1 | Process for producing 2-alkyl-2cyclopentenones | TAKASAGO INTERNATIONAL CORPORATION | 2003-06-12 | — | — | US | disclosed |
| EP-1316541-A1 | Process for producing 2-alkyl-2-cyclopentenones | Takasago International Corporation (JP) | 2003-06-04 | — | — | EP | disclosed |