⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5653900 | 0.82 | — | — | |
| SCHEMBL8796908 | 0.78 | — | — | |
| SCHEMBL7221007 | 0.75 | — | — | |
| SCHEMBL8806467 | 0.75 | CAPN1 (0.36) | — | |
| SCHEMBL28552011 | 0.74 | LIPG (0.31) | — | |
| SCHEMBL6014661 | 0.73 | — | — | |
| SCHEMBL5653901 | 0.73 | — | — | |
| SCHEMBL27662497 | 0.73 | — | — | |
| SCHEMBL30445324 | 0.73 | — | — | |
| SCHEMBL7444319 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7084169-B2 | Aminoalkoxyindoles and methods of use | ROCHE PALO ALTO LLC (US) | 2006-08-01 | — | — | US | disclosed |
| US-20040132799-A1 | Aminoalkoxyindoles and methods of use | ROCHE PALO ALTO LLC (US) | 2004-07-08 | — | — | US | disclosed |