⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL30540156 | 0.79 | — | — | |
| SCHEMBL28622163 | 0.77 | — | — | |
| SCHEMBL6244380 | 0.76 | — | — | |
| SCHEMBL28751344 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL4921470 | 0.73 | — | — | |
| SCHEMBL9602172 | 0.72 | — | — | |
| SCHEMBL28385780 | 0.71 | — | — | |
| SCHEMBL1470912 | 0.69 | — | — | |
| SCHEMBL8773099 | 0.69 | — | — | |
| SCHEMBL29015229 | 0.68 | POLA1 (0.37) | — |
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-6761933-B2 | FIRST SOLUTION IS A GROUP IIIB AND/OR IVB METAL COMPOUND AND A METAL NITRATE; SECOND SOLUTION IS A REACTION PRODUCT OF AN EPOXY AND AN AMINE, PHOSPHORUS OR SULFUR COMPOUND, AND CURING; CORROSION RESISTANCE; CHROME-FREE AND NICKEL-FREE PRETREATMENT | PPG INDUSTRIES OHIO, INC. | 2004-07-13 | — | — | US | disclosed |
| US-20040079647-A1 | Process for coating untreated metal substrates | PPG INDUSTRIES OHIO, INC. | 2004-04-29 | — | — | US | disclosed |