⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13712955 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL14658257 | 0.63 | KDM4E (0.34) | — | |
| SCHEMBL14659170 | 0.61 | — | — | |
| SCHEMBL14658648 | 0.60 | — | — | |
| SCHEMBL14658666 | 0.57 | — | — | |
| SCHEMBL10197346 | 0.56 | INMT (0.30) | — | |
| SCHEMBL14658385 | 0.56 | — | — | |
| SCHEMBL14658010 | 0.56 | — | — | |
| SCHEMBL10103776 | 0.54 | ALDH1A1 (0.32) | — | |
| SCHEMBL20125692 | 0.51 | KDM4E (0.35) | — |
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-20130030191-A1 | Group IV Metal Complexes For Metal-Containing Film Deposition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-01-31 | — | — | US | claimed |
| US-20130030191-A1 | Group IV Metal Complexes For Metal-Containing Film Deposition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-01-31 | — | — | US | disclosed |