⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243941 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL7117821 | 0.71 | — | — | |
| SCHEMBL12266334 | 0.69 | — | — | |
| SCHEMBL9918170 | 0.67 | — | — | |
| SCHEMBL21046065 | 0.67 | — | — | |
| SCHEMBL14788075 | 0.65 | PSIP1 (0.31) | — | |
| SCHEMBL13458019 | 0.65 | — | — | |
| SCHEMBL18534291 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL8393745 | 0.63 | — | — | |
| SCHEMBL13001741 | 0.63 | — | — |
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-20100041760-A1 | MONOARYL AMINOTETRALINES | BLANC JEAN-BAPTISTE | 2010-02-18 | — | — | US | disclosed |