⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12104219 | 0.78 | — | — | |
| SCHEMBL306147 | 0.78 | — | — | |
| SCHEMBL8989645 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL12829446 | 0.73 | — | — | |
| SCHEMBL170583 | 0.71 | — | — | |
| SCHEMBL170584 | 0.71 | — | — | |
| SCHEMBL13024358 | 0.69 | CA1 (0.46) | — | |
| SCHEMBL27040194 | 0.69 | CA1 (0.46) | — | |
| SCHEMBL14396399 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL15233626 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7115647-B2 | Method of inhibiting neoplastic cells with indole derivatives | OSI PHARMACEUTICALS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-20020143022-A1 | Method of inhibiting neoplastic cells with indole derivatives | OSI PHARMACEUTICALS, INC. | 2002-10-03 | — | — | US | disclosed |
| US-6410584-B1 | ANTICANCER AGENTS | CELL PATHWAYS, INC. | 2002-06-25 | — | — | US | disclosed |