⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7597192 | 0.71 | GAA (0.40) | — | |
| SCHEMBL28123659 | 0.71 | AKR1C1 (0.35) | — | |
| SCHEMBL29106487 | 0.68 | TSHR (0.34) | — | |
| SCHEMBL8749501 | 0.68 | CYP1A2 (0.31) | — | |
| SCHEMBL31279992 | 0.66 | GRIN1 (0.40) | — | |
| SCHEMBL5684310 | 0.63 | HSD11B1 (0.40) | — | |
| SCHEMBL7262639 | 0.63 | CYP1A2 (0.43) | — | |
| SCHEMBL27536031 | 0.61 | CYP1A2 (0.42) | — | |
| SCHEMBL16743054 | 0.60 | CHRNB2 (0.36) | — | |
| SCHEMBL19435454 | 0.57 | OPRM1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0416038-B1 | NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED | TROPIX INC (US) | 1997-03-26 | — | — | EP | claimed |