⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9058494 | 1.00 | — | — | |
| SCHEMBL9058982 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL4767183 | 0.80 | — | — | |
| SCHEMBL2716472 | 0.80 | — | — | |
| SCHEMBL751024 | 0.80 | — | — | |
| SCHEMBL2929852 | 0.74 | — | — | |
| SCHEMBL2929854 | 0.74 | — | — | |
| SCHEMBL294858 | 0.74 | — | — | |
| SCHEMBL9932517 | 0.72 | — | — | |
| SCHEMBL3802740 | 0.71 | HCAR2 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996016013-A1 | METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL, A KEY INTERMEDIATE IN THE COMMERCIAL SYNTHESES OF VARIOUS CAROTENOIDS | LOYOLA UNIVERSITY OF CHICAGO (US) | 1996-05-30 | — | — | WO | disclosed |
| US-5471005-A | Method of making 2,7-dimethyl-2,4,6-octatrienedial, a key intermediate in the commercial syntheses of various carotenoids | LOYOLA UNIVERSITY OF CHICAGO (US) | 1995-11-28 | — | — | US | disclosed |