⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9741830 | 0.93 | — | — | |
| SCHEMBL10355483 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL152187 | 0.68 | CSNK2A1 (0.44) | — | |
| SCHEMBL9739486 | 0.67 | FSCN1 (0.30) | — | |
| SCHEMBL207490 | 0.63 | AHR (0.42) | — | |
| SCHEMBL9739238 | 0.63 | FSCN1 (0.30) | — | |
| SCHEMBL1082152 | 0.62 | CA12 (0.50) | — | |
| SCHEMBL1965665 | 0.62 | GPR84 (0.37) | — | |
| SCHEMBL4851597 | 0.62 | — | — | |
| SCHEMBL9740880 | 0.62 | SRC (0.37) | — |
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-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |