⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30452304 | 0.83 | KDM4E (0.30) | — | |
| SCHEMBL575552 | 0.78 | CA1 (0.46) | — | |
| SCHEMBL575957 | 0.78 | CA1 (0.39) | — | |
| SCHEMBL11598133 | 0.76 | — | — | |
| SCHEMBL23793922 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL27687095 | 0.74 | — | — | |
| SCHEMBL29188634 | 0.72 | — | — | |
| SCHEMBL16352676 | 0.71 | — | — | |
| SCHEMBL28310247 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL27291512 | 0.70 | CA1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101535241-A | Phenyloxyaniline derivatives | BAYER SCHERING PHARMA AG (DE) | 2009-09-16 | — | — | CN | disclosed |