⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29182568 | 1.00 | — | — | |
| SCHEMBL15844827 | 1.00 | — | — | |
| SCHEMBL5411663 | 0.93 | — | — | |
| SCHEMBL5402890 | 0.93 | — | — | |
| SCHEMBL2516625 | 0.91 | — | — | |
| SCHEMBL94300 | 0.91 | — | — | |
| SCHEMBL94642 | 0.91 | — | — | |
| SCHEMBL22467889 | 0.91 | — | — | |
| SCHEMBL21632580 | 0.91 | — | — | |
| SCHEMBL28069019 | 0.91 | — | — |
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-20150050458-A1 | Functionalization of a Substrate | OTI LUMIONICS INC. (CA) | 2015-02-19 | — | — | US | claimed |