⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250039 | 0.79 | — | — | |
| SCHEMBL745650 | 0.79 | — | — | |
| SCHEMBL6266224 | 0.78 | — | — | |
| SCHEMBL1667484 | 0.76 | — | — | |
| SCHEMBL393722 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL15310664 | 0.76 | — | — | |
| SCHEMBL138379 | 0.75 | — | — | |
| SCHEMBL395349 | 0.75 | ZDHHC7 (0.33) | — | |
| SCHEMBL3862928 | 0.75 | — | — | |
| SCHEMBL3678513 | 0.75 | — | — |
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-1993011190-A1 | POLYMER NANOCOMPOSITES FORMED BY MELT PROCESSING OF A POLYMER AND AN EXFOLIATED LAYERED MATERIAL DERIVATIZED WITH REACTIVE ORGANO SILANES | ALLIED-SIGNAL INC. (US) | 1993-06-10 | — | — | WO | disclosed |