⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1144035 | 1.00 | — | — | |
| SCHEMBL875883 | 1.00 | — | — | |
| SCHEMBL9617082 | 0.82 | — | — | |
| SCHEMBL10495152 | 0.82 | — | — | |
| SCHEMBL4130934 | 0.82 | — | — | |
| SCHEMBL29538745 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28997679 | 0.71 | — | — | |
| SCHEMBL30135586 | 0.71 | — | — | |
| SCHEMBL10773596 | 0.71 | — | — | |
| SCHEMBL29548483 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1941415-A2 | SYSTEM AND METHOD OF COMPUTING AND RENDERING THE NATURE OF POLYATOMIC MOLECULES AND POLYATOMIC MOLECULAR IONS | Blacklight Power, Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007051078-A2 | SYSTEM AND METHOD OF COMPUTING AND RENDERING THE NATURE OF POLYATOMIC MOLECULES AND POLYATOMIC MOLECULAR IONS | BLACKLIGHT POWER, INC. (US) | 2007-05-03 | — | — | WO | disclosed |