⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5329762 | 0.82 | CCR1 (0.31) | — | |
| SCHEMBL9942573 | 0.70 | CCR1 (0.46) | — | |
| SCHEMBL23790563 | 0.62 | CCR1 (0.31) | — | |
| SCHEMBL25636036 | 0.62 | FFAR2 (0.37) | — | |
| SCHEMBL21958648 | 0.61 | LRRK2 (0.44) | — | |
| SCHEMBL27062852 | 0.61 | AAK1 (0.33) | — | |
| SCHEMBL15612877 | 0.59 | PDPK1 (0.49) | — | |
| SCHEMBL1145158 | 0.58 | TRPM8 (0.33) | — | |
| SCHEMBL23133692 | 0.57 | CCNK (0.43) | — | |
| SCHEMBL10812011 | 0.57 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007133756-A2 | CRF1 RECEPTOR LIGANDS COMPRISING HETEROARYL FUSED BICYCLES | NEUROGEN CORPORATION (US) | 2007-11-22 | — | — | WO | disclosed |