⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8700877 | 0.80 | L3MBTL1 (0.34) | — | |
| SCHEMBL8696273 | 0.75 | MAOB (0.41) | — | |
| SCHEMBL8698217 | 0.68 | MAPT (0.42) | — | |
| SCHEMBL27627276 | 0.66 | L3MBTL1 (0.44) | — | |
| SCHEMBL8925198 | 0.66 | RIPK1 (0.30) | — | |
| SCHEMBL4339765 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL9487223 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL6944254 | 0.65 | — | — | |
| SCHEMBL9013384 | 0.65 | — | — | |
| SCHEMBL7517437 | 0.65 | CA1 (0.36) | — |
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-5831073-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-11-03 | — | — | US | disclosed |
| US-5493012-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1996-02-20 | — | — | US | disclosed |