⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10356350 | 0.97 | CYP1A2 (0.46) | — | |
| SCHEMBL18745662 | 0.94 | — | — | |
| SCHEMBL19333190 | 0.75 | CA1 (0.33) | — | |
| SCHEMBL21564462 | 0.75 | GNAO1 (0.38) | — | |
| SCHEMBL13765658 | 0.71 | CHRM5 (0.38) | — | |
| SCHEMBL8038613 | 0.71 | CYP1A2 (0.39) | — | |
| SCHEMBL8040444 | 0.71 | CYP1A2 (0.44) | — | |
| SCHEMBL19192127 | 0.69 | — | — | |
| SCHEMBL4121863 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL3679063 | 0.67 | CYP1A2 (0.41) | — |
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-2000078826-A1 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2000-12-28 | — | — | WO | claimed |
| WO-2000078826-A1 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2000-12-28 | — | — | WO | disclosed |