⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28292553 | 0.97 | — | — | |
| SCHEMBL16411466 | 0.90 | — | — | |
| SCHEMBL11475917 | 0.86 | CA1 (0.50) | — | |
| SCHEMBL19864412 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL23100000 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL910824 | 0.83 | — | — | |
| SCHEMBL735585 | 0.82 | — | — | |
| SCHEMBL16411469 | 0.80 | ALOX5 (0.55) | — | |
| SCHEMBL14863743 | 0.78 | ALOX5 (0.59) | — | |
| Methylamine SCHEMBL25431134 | 0.78 | ALOX5 (0.44) | — |
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-20060247272-A1 | 4-Amino Substituted-2-Substituted-1,2,3,4-tetrahydroquinoline Compounds | PFIZER INC | 2006-11-02 | — | — | US | disclosed |