⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3223448 | 0.76 | — | — | |
| SCHEMBL7643744 | 0.74 | — | — | |
| SCHEMBL27783583 | 0.67 | — | — | |
| SCHEMBL430568 | 0.66 | — | — | |
| SCHEMBL5319891 | 0.66 | — | — | |
| SCHEMBL29044404 | 0.65 | THRB (0.36) | — | |
| SCHEMBL5854840 | 0.64 | THRB (0.32) | — | |
| SCHEMBL107800 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL22492166 | 0.64 | LMNA (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL29069448 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6229036-B1 | PRODUCED BY REACTING MERCAPTOSILANES WITH CHLOROSILANES; USED AS COUPLING AGENTS IN RUBBER MIXTURES | Degussa-Hüls Aktiengesellschaft (DE) | 2001-05-08 | — | — | US | disclosed |