⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698783 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL2090540 | 0.75 | — | — | |
| SCHEMBL26879942 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL10936380 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL3214992 | 0.73 | — | — | |
| SCHEMBL31426785 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL13405339 | 0.73 | — | — | |
| SCHEMBL4278701 | 0.71 | — | — | |
| SCHEMBL2090938 | 0.71 | — | — | |
| SCHEMBL12935467 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113513-A1 | QUINOLINE DERIVATIVES AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-05-06 | — | — | US | claimed |
| US-20180198157-A1 | NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY | LG CHEM, LTD. (KR) | 2018-07-12 | — | — | US | disclosed |
| US-20180198157-A1 | NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY | LG CHEM, LTD. (KR) | 2018-07-12 | — | — | US | disclosed |