⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7228771 | 1.00 | — | — | |
| SCHEMBL7229972 | 0.98 | — | — | |
| SCHEMBL7228768 | 0.92 | CA2 (0.35) | — | |
| SCHEMBL7228773 | 0.92 | CA2 (0.35) | — | |
| SCHEMBL7225162 | 0.92 | SIGMAR1 (0.30) | — | |
| SCHEMBL7225156 | 0.92 | SIGMAR1 (0.30) | — | |
| SCHEMBL7231185 | 0.92 | — | — | |
| SCHEMBL7230608 | 0.91 | CA2 (0.32) | — | |
| SCHEMBL7230613 | 0.91 | CA2 (0.32) | — | |
| SCHEMBL7224065 | 0.85 | SIGMAR1 (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 1 patent. 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 |