⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395763 | 0.73 | — | — | |
| SCHEMBL68155 | 0.66 | MEN1 (0.31) | — | |
| SCHEMBL16103006 | 0.65 | CYP3A4 (0.47) | — | |
| SCHEMBL112121 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL8571642 | 0.64 | — | — | |
| SCHEMBL298363 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL11573021 | 0.61 | — | — | |
| SCHEMBL1392530 | 0.60 | — | — | |
| SCHEMBL1392210 | 0.60 | — | — | |
| SCHEMBL11777613 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014153046-A2 | POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME | PPG INDUSTRIES OHIO, INC. (US) | 2014-09-25 | — | — | WO | disclosed |