⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20003437 | 0.79 | — | — | |
| SCHEMBL21159852 | 0.75 | — | — | |
| SCHEMBL19090282 | 0.75 | — | — | |
| SCHEMBL21998514 | 0.75 | — | — | |
| SCHEMBL3237629 | 0.75 | — | — | |
| SCHEMBL19090280 | 0.75 | — | — | |
| SCHEMBL20992579 | 0.75 | — | — | |
| SCHEMBL20326654 | 0.73 | — | — | |
| SCHEMBL23419036 | 0.72 | — | — | |
| SCHEMBL21776321 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1092423-A | 6-heterocycle-4-the amino-1,2 of treatment motion sickness and vomiting, 2a, 3,4,5-hexahydro-benzo [cd] benzazolyl compounds | LILLY CO ELI (US) | 1994-09-21 | — | — | CN | disclosed |