⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7230794 | 0.76 | GAA (0.31) | — | |
| SCHEMBL7225316 | 0.75 | SIGMAR1 (0.36) | — | |
| SCHEMBL7230379 | 0.75 | GAA (0.34) | — | |
| SCHEMBL7221972 | 0.72 | — | — | |
| SCHEMBL8678815 | 0.69 | — | — | |
| SCHEMBL7261102 | 0.69 | — | — | |
| SCHEMBL7710767 | 0.67 | — | — | |
| SCHEMBL7708082 | 0.67 | — | — | |
| SCHEMBL6220571 | 0.65 | — | — | |
| SCHEMBL7231304 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6552226-B1 | Rapid; low temperature; one pot synthesis; reduced catalytic quantities of such as lewis acid and tertiary amine; entiomerically pure products | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2003-04-22 | — | — | US | disclosed |
| WO-2002026683-A1 | TANDEM ACYL-CLAISEN REARRANGEMENT IN THE PREPARATION OF CHIRAL PRODUCTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2002-04-04 | — | — | WO | disclosed |