⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7447923 | 0.70 | LTB4R2 (0.41) | — | |
| SCHEMBL19289777 | 0.56 | KCNH2 (0.43) | — | |
| SCHEMBL10122957 | 0.56 | CYP2C19 (0.43) | — | |
| SCHEMBL7022293 | 0.56 | CHEK1 (0.37) | — | |
| SCHEMBL11398553 | 0.55 | NPC1 (0.44) | — | |
| SCHEMBL1917495 | 0.55 | ADORA3 (0.41) | — | |
| SCHEMBL4433092 | 0.55 | NT5E (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL6191791 | 0.55 | RAB9A (0.42) | — | |
| SCHEMBL27469018 | 0.55 | TAAR1 (0.52) | — | |
| SCHEMBL12847332 | 0.53 | TAAR1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002541151-A | — | — | 2002-12-03 | — | — | JP | claimed |
| EP-1165557-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2002-01-02 | — | — | EP | claimed |
| WO-2000059905-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2000-10-12 | — | — | WO | claimed |
| EP-1165557-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059905-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2000-10-12 | — | — | WO | disclosed |