⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1208278 | 0.84 | — | — | |
| SCHEMBL2636758 | 0.82 | — | — | |
| SCHEMBL28026340 | 0.81 | — | — | |
| SCHEMBL15329088 | 0.79 | — | — | |
| SCHEMBL9849643 | 0.77 | — | — | |
| SCHEMBL4021936 | 0.77 | — | — | |
| SCHEMBL18301365 | 0.77 | — | — | |
| SCHEMBL8405244 | 0.77 | — | — | |
| SCHEMBL8775138 | 0.74 | — | — | |
| SCHEMBL3120770 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011123678-A2 | SUBSTITUTED BENZO-PYRIDO-TRIAZOLO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2011-10-06 | — | — | WO | disclosed |