⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10901474 | 1.00 | — | — | |
| SCHEMBL31419309 | 0.87 | — | — | |
| SCHEMBL30380234 | 0.82 | — | — | |
| SCHEMBL11420269 | 0.82 | — | — | |
| SCHEMBL3306695 | 0.82 | — | — | |
| SCHEMBL1135066 | 0.82 | — | — | |
| SCHEMBL3306692 | 0.82 | — | — | |
| SCHEMBL1760422 | 0.82 | — | — | |
| SCHEMBL1135067 | 0.82 | — | — | |
| SCHEMBL32681802 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4619696-A | Additive for metallurgical liquids, and method and device for the preparation thereof | O.E.T. - METALCONSULT S.R.L. (IT) | 1986-10-28 | — | — | US | claimed |
| CN-106848218-A | A kind of silicon or silicon alloy composite lithium ion battery cathode material containing biethyl diacid lithium borate and its preparation method and application | 浙江大学 | 2017-06-13 | — | — | CN | disclosed |