⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1817888 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL5201302 | 0.78 | — | — | |
| SCHEMBL8751194 | 0.77 | — | — | |
| SCHEMBL1133057 | 0.75 | — | — | |
| SCHEMBL14707747 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL17310374 | 0.73 | CYP2C19 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5739652 | 0.73 | — | — | |
| SCHEMBL15187928 | 0.73 | — | — | |
| SCHEMBL5696036 | 0.73 | — | — | |
| SCHEMBL15187926 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809591-B2 | Process for the manufacture of TMHQ | DSM IP ASSETS B.V. (NL) | 2014-08-19 | — | — | US | disclosed |
| US-20130211080-A1 | PROCESS FOR THE MANUFACTURE OF TMHQ | DSM IP ASSETS B.V. (NL) | 2013-08-15 | — | — | US | disclosed |
| US-20040081922-A1 | Photoresist stripper composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1400858-A1 | PHOTORESIST STRIPPER COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-5246913-A | Alcohols and isothiazolones for bactericides, fungicides and algicides | ROHM AND HAAS COMPANY (US) | 1993-09-21 | — | — | US | disclosed |