⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12677139 | 0.80 | — | — | |
| SCHEMBL2380934 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL15657642 | 0.77 | — | — | |
| SCHEMBL14536429 | 0.75 | — | — | |
| SCHEMBL18513556 | 0.75 | — | — | |
| SCHEMBL24697100 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL20865629 | 0.70 | ESR2 (0.33) | — | |
| SCHEMBL27790205 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL14923094 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL27425062 | 0.70 | TSHR (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399897-B1 | METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND | UNIV UTSUNOMIYA (JP) | 2015-08-12 | — | — | EP | disclosed |
| US-8716501-B2 | Method for producing oxygen-containing compound | UTSUNOMIYA UNIVERSITY (JP) | 2014-05-06 | — | — | US | disclosed |
| US-20120053354-A1 | Method for Producing Oxygen-Containing Compound | UTSUNOMIYA UNIVERSITY (JP) | 2012-03-01 | — | — | US | disclosed |
| CN-102317247-A | Method for producing oxygen-containing compound | UNIV UTSUNOMIYA | 2012-01-11 | — | — | CN | disclosed |
| EP-2399897-A1 | METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND | Utsunomiya University (JP) | 2011-12-28 | — | — | EP | disclosed |
| US-20090299111-A1 | (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2009-12-03 | — | — | US | disclosed |
| EP-1908743-A1 | (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-04-09 | — | — | EP | disclosed |
| US-4704477-A | Trimethylcyclohexene derivatives, their preparation and use as perfume substances | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1987-11-03 | — | — | US | disclosed |