⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861363 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL29238005 | 0.67 | — | — | |
| SCHEMBL18573344 | 0.67 | — | — | |
| SCHEMBL10491543 | 0.67 | — | — | |
| SCHEMBL7750501 | 0.67 | — | — | |
| SCHEMBL19747799 | 0.67 | — | — | |
| SCHEMBL2942094 | 0.66 | PKM (0.33) | — | |
| Benzoquinone SCHEMBL8966070 | 0.65 | TDP1 (0.80) | — | |
| SCHEMBL14191455 | 0.65 | — | — | |
| Benzoquinone SCHEMBL460082 | 0.64 | ALDH1A1 (1.00) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0441116-B1 | Process and intermediates for the manufacture of optically active chroman derivatives | ASAHI DENKA KOGYO KK (JP) | 1995-04-05 | — | — | EP | claimed |
| EP-0039484-A1 | Process for the production of monoethers of hydroquinone and quinol ketales as intermediates thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-11-11 | — | — | EP | claimed |
| WO-2017083719-A1 | TRANSITION METAL FREE METHODS OF SYNTHESIS OF BIARYL COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-05-18 | — | — | WO | disclosed |
| CN-106632388-A | Naturally active drug intermediate with high biological activity and preparation method thereof | 胡寅俊 | 2017-05-10 | — | — | CN | disclosed |
| US-20160372684-A1 | DONOR-ACCEPTOR NANOHOOP COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | UNIVERSITY OF OREGON | 2016-12-22 | — | — | US | disclosed |
| EP-2055693-A1 | Method for manufacturing substituted and unsubstituted cyclohexanone monoketales | Bayer CropScience AG (DE) | 2009-05-06 | — | — | EP | disclosed |
| CN-1439015-A | Phosphorus-containing hydroquinone derivative, process for producing the same, phosphorus-containing epoxy resin using the same, flame-retardant epoxy resin composition, sealing material and laminate thereof | NIPPON CHEMICAL IND (JP) | 2003-08-27 | — | — | CN | disclosed |
| EP-0039484-A1 | Process for the production of monoethers of hydroquinone and quinol ketales as intermediates thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-11-11 | — | — | EP | disclosed |
| EP-0039484-A1 | Process for the production of monoethers of hydroquinone and quinol ketales as intermediates thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-11-11 | — | — | EP | disclosed |