⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL143814 | 0.97 | — | — | |
| Fluoride SCHEMBL30212653 | 0.94 | — | — | |
| SCHEMBL8676817 | 0.94 | — | — | |
| Dimethylamine SCHEMBL385867 | 0.89 | TSHR (0.39) | — | |
| Acetic Acid SCHEMBL687743 | 0.83 | RAB9A (0.41) | — | |
| Formamide SCHEMBL4997873 | 0.83 | TRIM24 (0.50) | — | |
| SCHEMBL25469300 | 0.81 | TSHR (0.43) | — | |
| Diethylamine SCHEMBL3973793 | 0.81 | TRIM24 (0.39) | — | |
| SCHEMBL23781832 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL12074519 | 0.71 | — | — |
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-2009155507-A1 | TITANIUM PYRROLYL-BASED ORGANOMETALLIC PRECURSORS AND USE THEREOF FOR PREPARING DIELECTRIC THIN FILMS | SIGMA-ALDRICH CO. (US) | 2009-12-23 | — | — | WO | disclosed |