⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31522600 | 1.00 | — | — | |
| SCHEMBL844591 | 1.00 | — | — | |
| SCHEMBL8210960 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3319114 | 0.97 | — | — | |
| SCHEMBL9267031 | 0.86 | CHRNA7 (0.48) | — | |
| SCHEMBL66150 | 0.86 | — | — | |
| SCHEMBL66151 | 0.86 | — | — | |
| SCHEMBL1039747 | 0.86 | — | — | |
| SCHEMBL21087936 | 0.86 | — | — | |
| SCHEMBL71473 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2902030-B1 | Thienotriazolodiazepine compounds for treating neoplasia | DANA FARBER CANCER INST INC (US) | 2016-09-14 | — | — | EP | disclosed |