⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7745088 | 0.82 | — | — | |
| SCHEMBL7739931 | 0.82 | — | — | |
| SCHEMBL4069109 | 0.78 | — | — | |
| SCHEMBL6034292 | 0.78 | OPRL1 (0.32) | — | |
| SCHEMBL319529 | 0.75 | — | — | |
| SCHEMBL20327556 | 0.75 | — | — | |
| SCHEMBL7644780 | 0.73 | — | — | |
| SCHEMBL7412835 | 0.73 | — | — | |
| SCHEMBL6408493 | 0.73 | — | — | |
| SCHEMBL384448 | 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-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2020-07-07 | — | — | US | disclosed |
| CN-107108653-B | Pyrazolothiazole compound and medicine | 日本新药株式会社 | 2019-04-09 | — | — | CN | disclosed |
| CN-107108653-A | Pyrazolothiazole compound and medicine | 日本新药株式会社 | 2017-08-29 | — | — | CN | disclosed |
| US-20140066394-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | BIOPATTERNS, S.R.O (CZ) | 2014-03-06 | — | — | US | disclosed |
| US-20120071433-A1 | Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2012-03-22 | — | — | US | disclosed |