⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL872475 | 1.00 | — | — | |
| SCHEMBL9112171 | 1.00 | — | — | |
| SCHEMBL9110218 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL9111456 | 0.84 | TSHR (0.44) | — | |
| SCHEMBL3649690 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL25181820 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL5727423 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL5727421 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL3669968 | 0.79 | — | — | |
| SCHEMBL3669969 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018050793-A1 | PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES | BASF SE (DE) | 2018-03-22 | — | — | WO | disclosed |
| WO-2018050792-A1 | PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS | BASF SE (DE) | 2018-03-22 | — | — | WO | disclosed |
| WO-2018050794-A1 | PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS | BASF SE (DE) | 2018-03-22 | — | — | WO | disclosed |