⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6903663 | 1.00 | DRD1 (0.68) | — | |
| SCHEMBL6907774 | 1.00 | DRD1 (0.68) | — | |
| Ammonia Solution, Strong SCHEMBL1799116 | 0.98 | DRD1 (0.66) | — | |
| SCHEMBL6900363 | 0.93 | DRD1 (0.74) | — | |
| SCHEMBL4581239 | 0.88 | METAP1 (0.63) | — | |
| SCHEMBL30777630 | 0.88 | METAP1 (0.63) | — | |
| SCHEMBL22523888 | 0.87 | DRD2 (0.55) | — | |
| SCHEMBL4041676 | 0.87 | METAP1 (0.58) | — | |
| SCHEMBL4895916 | 0.83 | METAP1 (0.61) | — | |
| SCHEMBL23835146 | 0.82 | METAP1 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110112193-A1 | BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS | BIOLIPOX AB (SE) | 2011-05-12 | — | — | US | disclosed |