⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577387 | 1.00 | — | — | |
| SCHEMBL22366533 | 0.80 | — | — | |
| SCHEMBL5707084 | 0.77 | TDP1 (0.43) | — | |
| SCHEMBL17743567 | 0.77 | TDP1 (0.43) | — | |
| SCHEMBL22366429 | 0.75 | — | — | |
| SCHEMBL6355833 | 0.72 | — | — | |
| SCHEMBL3409933 | 0.70 | FAAH (0.39) | — | |
| SCHEMBL3982650 | 0.69 | — | — | |
| SCHEMBL942047 | 0.69 | — | — | |
| SCHEMBL18335390 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5977399-A | Iminooxymethyleneanilides, preparation thereof and intermediates therefor, and compositions containing them | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |