⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9114146 | 0.77 | — | — | |
| SCHEMBL15355983 | 0.67 | — | — | |
| SCHEMBL9138839 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL4819160 | 0.64 | — | — | |
| SCHEMBL4821505 | 0.64 | — | — | |
| SCHEMBL9352017 | 0.62 | — | — | |
| SCHEMBL9138833 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL152107 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL14808976 | 0.58 | — | — | |
| SCHEMBL411434 | 0.58 | — | — |
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-6617466-B1 | Having a heteroatom ligand containing an element with a coordination number of three from Group V A or a coordination number of two from Group VI A attached to the ring through a hydrocarbylene, silane or germanium group | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-09-09 | — | — | US | disclosed |