⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15305266 | 0.90 | — | — | |
| SCHEMBL8769608 | 0.75 | — | — | |
| SCHEMBL14956713 | 0.73 | — | — | |
| SCHEMBL17752553 | 0.73 | — | — | |
| SCHEMBL8770081 | 0.71 | — | — | |
| SCHEMBL231464 | 0.71 | — | — | |
| SCHEMBL8995998 | 0.69 | — | — | |
| SCHEMBL16883292 | 0.69 | — | — | |
| SCHEMBL9911302 | 0.69 | — | — | |
| SCHEMBL5968706 | 0.67 | TSHR (0.44) | — |
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-20150191629-A1 | SURFACE MODIFIER AND ARTICLE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-07-09 | — | — | US | disclosed |