⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5345993 | 0.66 | — | — | |
| SCHEMBL13804377 | 0.64 | — | — | |
| SCHEMBL9728320 | 0.64 | — | — | |
| SCHEMBL8495012 | 0.63 | CYP11B2 (0.36) | — | |
| SCHEMBL3391231 | 0.62 | HRH4 (0.37) | — | |
| SCHEMBL16995220 | 0.61 | — | — | |
| SCHEMBL65108 | 0.58 | — | — | |
| SCHEMBL6247431 | 0.57 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL21193094 | 0.56 | CHRM2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.56 | — | — |
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-1999051598-A1 | SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |