⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9564651 | 0.80 | TTR (0.30) | — | |
| SCHEMBL599680 | 0.76 | — | — | |
| SCHEMBL35517 | 0.63 | — | — | |
| SCHEMBL9203723 | 0.63 | — | — | |
| SCHEMBL10392521 | 0.63 | — | — | |
| SCHEMBL7006923 | 0.63 | — | — | |
| SCHEMBL987090 | 0.63 | — | — | |
| SCHEMBL10893172 | 0.63 | — | — | |
| SCHEMBL6470444 | 0.62 | — | — | |
| SCHEMBL989363 | 0.60 | HSD11B1 (0.32) | — |
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-6511603-B1 | Crown ether, 4,4'(5')(C4- C8-alkylcyclohexano)-18-Crown-6, dispersed onto an inert, porous support; free-flowing particles free of diluent; | ARCH DEVELOPMENT CORP. | 2003-01-28 | — | — | US | claimed |