⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6363154 | 0.97 | — | — | |
| SCHEMBL124179 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30777463 | 0.93 | — | — | |
| SCHEMBL11764059 | 0.88 | EPHX1 (0.48) | — | |
| SCHEMBL28581256 | 0.83 | EPHX1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL30076041 | 0.81 | EPHX1 (0.43) | — | |
| Propane SCHEMBL10617202 | 0.75 | EPHX1 (0.43) | — | |
| SCHEMBL30516878 | 0.75 | — | — | |
| SCHEMBL11123806 | 0.73 | EPHX1 (0.40) | — | |
| SCHEMBL9913287 | 0.73 | EPHX1 (0.40) | — |
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-8642797-B2 | Amidate precursors for depositing metal containing films | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-20120045589-A1 | Amidate Precursors For Depositing Metal Containing Films | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-02-23 | — | — | US | disclosed |