⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18627067 | 0.75 | TRPA1 (0.37) | — | |
| SCHEMBL28903695 | 0.67 | — | — | |
| SCHEMBL5631984 | 0.65 | — | — | |
| SCHEMBL30829196 | 0.62 | — | — | |
| SCHEMBL11775863 | 0.62 | EPHX1 (0.60) | — | |
| SCHEMBL21012124 | 0.61 | — | — | |
| SCHEMBL3457958 | 0.60 | — | — | |
| SCHEMBL10780063 | 0.58 | — | — | |
| SCHEMBL16692790 | 0.58 | — | — | |
| SCHEMBL16976222 | 0.58 | — | — |
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-A1 | Thienotriazolodiazepine compounds for treating neoplasia | Dana-Farber Cancer Institute, Inc. (US) | 2015-08-05 | — | — | EP | disclosed |