⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27324740 | 0.68 | — | — | |
| SCHEMBL17077319 | 0.66 | — | — | |
| SCHEMBL18806997 | 0.66 | — | — | |
| SCHEMBL24921236 | 0.61 | — | — | |
| SCHEMBL19223439 | 0.61 | — | — | |
| SCHEMBL13297837 | 0.61 | — | — | |
| SCHEMBL2915026 | 0.60 | CYP1A2 (0.31) | — | |
| SCHEMBL15133572 | 0.58 | CARM1 (0.33) | — | |
| SCHEMBL22102448 | 0.58 | — | — | |
| SCHEMBL21444349 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008152014-A2 | 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-12-18 | — | — | WO | disclosed |