⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10812354 | 0.86 | — | — | |
| SCHEMBL9663462 | 0.79 | — | — | |
| SCHEMBL28070233 | 0.76 | — | — | |
| Bromide SCHEMBL27891598 | 0.75 | — | — | |
| SCHEMBL17221781 | 0.73 | — | — | |
| SCHEMBL8674013 | 0.73 | — | — | |
| SCHEMBL7258111 | 0.68 | — | — | |
| SCHEMBL1936117 | 0.68 | — | — | |
| SCHEMBL11894927 | 0.67 | HTR2A (0.31) | — | |
| SCHEMBL27506271 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104812790-A | Organopolysiloxane graft polymer | KAO CORP | 2015-07-29 | — | — | CN | disclosed |