⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812256 | 0.95 | — | — | |
| Isobutyraldehyde SCHEMBL404627 | 0.76 | — | — | |
| SCHEMBL2358697 | 0.75 | — | — | |
| SCHEMBL16024194 | 0.72 | — | — | |
| SCHEMBL5484196 | 0.72 | — | — | |
| SCHEMBL8008332 | 0.72 | — | — | |
| SCHEMBL262580 | 0.72 | — | — | |
| SCHEMBL9473178 | 0.72 | — | — | |
| SCHEMBL10627711 | 0.72 | — | — | |
| SCHEMBL5009488 | 0.72 | — | — |
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-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 | claimed |
| 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 | claimed |
| WO-1997029103-A2 | SYNTHESIS OF OMEPRAZOLE-TYPE PYRIDINE DERIVATIVES AND INTERMEDIATES THEREOF | PDI-RESEARCH LABORATORIES, INC. (CA) | 1997-08-14 | — | — | WO | disclosed |