⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19719003 | 0.85 | — | — | |
| SCHEMBL74948 | 0.80 | THRB (0.32) | — | |
| SCHEMBL76444 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL18885535 | 0.70 | — | — | |
| SCHEMBL74568 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL76446 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL13645100 | 0.65 | FKBP1A (0.37) | — | |
| SCHEMBL18792851 | 0.64 | — | — | |
| SCHEMBL18792852 | 0.63 | — | — | |
| SCHEMBL16181818 | 0.62 | ALDH1A1 (0.36) | — |
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-9927708-B2 | Pattern forming process and shrink agent | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-27 | — | — | US | disclosed |