⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6448893 | 0.87 | — | — | |
| SCHEMBL9937642 | 0.81 | — | — | |
| SCHEMBL2786652 | 0.73 | — | — | |
| SCHEMBL4729844 | 0.73 | — | — | |
| SCHEMBL347172 | 0.71 | — | — | |
| SCHEMBL6899218 | 0.69 | — | — | |
| SCHEMBL19287773 | 0.69 | — | — | |
| SCHEMBL248209 | 0.69 | — | — | |
| SCHEMBL1992663 | 0.68 | — | — | |
| SCHEMBL28843207 | 0.68 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101035840-A | Crosslinked fluorocopolymer moldings | UNIMATEC CO LTD (JP) | 2007-09-12 | — | — | CN | disclosed |
| WO-1998024744-A1 | POLYHALOGEN HEXENES PRODUCTION THEREOF AND PRODUCTION OF HALOGENATED C4 CARBOXYLIC ACIDS FROM THESE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-11 | — | — | WO | disclosed |