⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4782113 | 1.00 | — | — | |
| SCHEMBL4726947 | 0.87 | MAPT (0.38) | — | |
| SCHEMBL4726953 | 0.87 | MAPT (0.38) | — | |
| SCHEMBL4779388 | 0.78 | CYP19A1 (0.39) | — | |
| SCHEMBL4779384 | 0.78 | CYP19A1 (0.39) | — | |
| SCHEMBL15649168 | 0.69 | EHMT2 (0.38) | — | |
| SCHEMBL15649189 | 0.68 | KMT2A (0.37) | — | |
| SCHEMBL15649190 | 0.68 | KMT2A (0.37) | — | |
| SCHEMBL4777170 | 0.67 | CYP19A1 (0.50) | — | |
| SCHEMBL4777176 | 0.67 | CYP19A1 (0.50) | — |
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-2008025526-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-06 | — | — | WO | disclosed |