⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7843510 | 0.78 | — | — | |
| SCHEMBL7130265 | 0.77 | — | — | |
| SCHEMBL3537548 | 0.74 | — | — | |
| SCHEMBL4447441 | 0.74 | — | — | |
| SCHEMBL29273944 | 0.74 | — | — | |
| Butane SCHEMBL6308269 | 0.69 | — | — | |
| Butane SCHEMBL6847120 | 0.67 | — | — | |
| SCHEMBL28150432 | 0.63 | — | — | |
| SCHEMBL371293 | 0.63 | — | — | |
| SCHEMBL5964938 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6537698-B2 | Phosphonate contacts the lithium anode to provide an electrically insulating and ionically conducting passivation layer thereon | WILSON GREATBATCH LTD. | 2003-03-25 | — | — | US | disclosed |
| US-6495285-B2 | A LITHIUM ION ELECTROLYTIC CELL HAVING HIGH CHARGE AND DISCHARGE CAPACITY, LONG LIFE AND EXHIBITING REDUCED FIRST CYCLE IRREVERSIBLE CAPACITY IS ACQUIRED BY ADDITION OF AN ORGANIC PHSOPHONATE ADDITIVE WITH ATLEST ONE HYDROGEN LINKAGE | WILSON GREATBATCH LTD. | 2002-12-17 | — | — | US | disclosed |
| US-20020136956-A1 | Electrochemical cell having an electrode with a phosphonate additive in the electrode active mixture | GREATBATCH LTD. | 2002-09-26 | — | — | US | disclosed |
| US-20010004506-A1 | A lithium ion electrolytic cell having high charge and discharge capacity, long life and exhibiting reduced first cycle irreversible capacity is acquired by addition of an organic phsophonate additive with atlest one hydrogen linkage | GREATBATCH, INC. | 2001-06-21 | — | — | US | disclosed |