⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25421641 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL25421639 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL25323092 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL25323088 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL25323090 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL2407423 | 0.74 | — | — | |
| SCHEMBL3316118 | 0.74 | — | — | |
| SCHEMBL1643939 | 0.74 | — | — | |
| SCHEMBL27136553 | 0.73 | CTSC (0.41) | — | |
| SCHEMBL26984142 | 0.73 | CTSC (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015119712-A1 | TETRACYCLIC CDK9 KINASE INHIBITORS | ABBVIE INC. (US) | 2015-08-13 | — | — | WO | disclosed |
| WO-2012103113-A1 | PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C | GILEAD PHARMASSET, LLC (US) | 2012-08-02 | — | — | WO | disclosed |