⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28641663 | 0.75 | — | — | |
| SCHEMBL407085 | 0.74 | CYP19A1 (0.44) | — | |
| SCHEMBL28076845 | 0.72 | — | — | |
| SCHEMBL210521 | 0.70 | — | — | |
| SCHEMBL28304083 | 0.70 | — | — | |
| SCHEMBL559183 | 0.69 | NFKB1 (0.38) | — | |
| Water SCHEMBL28716806 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3124271 | 0.68 | — | — | |
| Bromide SCHEMBL28863695 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL9230735 | 0.68 | CYP19A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019182986-A1 | PROCESS FOR FUNCTIONALIZATION OF ORGANO-METAL COMPOUNDS WITH SILYL-BASED FUNCTIONALIZATION AGENTS AND SILYL-FUNCTIONALIZED COMPOUNDS PREPARED THEREBY | DOW GLOBAL TECHNOLOGIES LLC (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2019182993-A1 | SILICON-TERMINATED TELECHELIC POLYOLEFIN COMPOSITIONS AND PROCESSES FOR PREPARING THE SAME | DOW GLOBAL TECHNOLOGIES LLC (US) | 2019-09-26 | — | — | WO | disclosed |