⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18013323 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL13757831 | 0.77 | — | — | |
| SCHEMBL5710970 | 0.77 | — | — | |
| SCHEMBL12128695 | 0.75 | — | — | |
| SCHEMBL5320376 | 0.75 | — | — | |
| SCHEMBL19178951 | 0.75 | ACHE (0.33) | — | |
| SCHEMBL1228670 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL12337809 | 0.73 | — | — | |
| SCHEMBL13117372 | 0.72 | — | — | |
| SCHEMBL17433028 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0827423-B1 | FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORP (US) | 2007-12-12 | — | — | EP | claimed |
| EP-0191542-B1 | ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES | The Boots Company PLC (GB) | 1988-06-08 | — | — | EP | claimed |