⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19974047 | 1.00 | — | — | |
| SCHEMBL19974067 | 1.00 | — | — | |
| SCHEMBL19974066 | 1.00 | — | — | |
| SCHEMBL19974049 | 1.00 | — | — | |
| SCHEMBL19974081 | 1.00 | — | — | |
| SCHEMBL3459937 | 0.88 | — | — | |
| SCHEMBL3459936 | 0.88 | — | — | |
| SCHEMBL4306220 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL28730994 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL4306221 | 0.83 | ALDH1A1 (0.33) | — |
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 4 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-2018050794-A1 | PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS | 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-2018050795-A1 | PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS | BASF SE (DE) | 2018-03-22 | — | — | WO | disclosed |