⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9737 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL29267524 | 0.93 | — | — | |
| SCHEMBL11699002 | 0.93 | — | — | |
| SCHEMBL11644395 | 0.93 | — | — | |
| SCHEMBL19712734 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9749710 | 0.93 | — | — | |
| SCHEMBL19712763 | 0.93 | — | — | |
| Phosphine SCHEMBL3982819 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL8575320 | 0.87 | — | — | |
| Benzene SCHEMBL11255197 | 0.82 | — | — |
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-20050020611-A1 | Compounds | PFIZER INC. | 2005-01-27 | — | — | US | claimed |