⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31058735 | 0.71 | HTR2A (0.36) | — | |
| SCHEMBL19670725 | 0.67 | NOS1 (0.37) | — | |
| SCHEMBL12262695 | 0.67 | MEN1 (0.38) | — | |
| Fluoride SCHEMBL28876981 | 0.66 | HTR2A (0.33) | — | |
| SCHEMBL5313739 | 0.62 | HTR2A (0.31) | — | |
| SCHEMBL1366559 | 0.61 | SIGMAR1 (0.45) | — | |
| SCHEMBL23558864 | 0.60 | — | — | |
| SCHEMBL15290411 | 0.59 | OPRM1 (0.40) | — | |
| SCHEMBL8609337 | 0.59 | CYP2C9 (0.34) | — | |
| SCHEMBL14101426 | 0.58 | IDO1 (0.34) | — |
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-2010132599-A1 | COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-18 | — | — | WO | claimed |
| EP-0206225-A2 | Indole derivatives | MERCK PATENT GmbH (DE) | 1986-12-30 | — | — | EP | disclosed |