⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL6427102 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL748244 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL8727210 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL15308 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL15053822 | 0.82 | TSHR (0.37) | — | |
| Butyrolactone SCHEMBL6365707 | 0.81 | CA1 (0.39) | — | |
| Cyclohexane SCHEMBL1617513 | 0.80 | RAB9A (0.34) | — | |
| SCHEMBL7262572 | 0.80 | TSHR (0.35) | — | |
| Methane SCHEMBL2179835 | 0.80 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL9513085 | 0.80 | TSHR (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10112215-A | — | — | None | — | — | JP | disclosed |
| US-8728670-B2 | Nonaqueous-electrolyte battery containing a negative electrode with a coating film formed by an isocyanate-containing compound in the nonaqueous electrolyte | KABUSHIKI KAISHA TOSHIBA (JP) | 2014-05-20 | — | — | US | disclosed |
| EP-2178993-A1 | INK SET, INK CARTRIDGE, INKJET RECORDING METHOD, AND INKJET RECORDING APPARATUS | Ricoh Company, Limited (JP) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009116197-A1 | INK SET, INK CARTRIDGE, INKJET RECORDING METHOD, AND INKJET RECORDING APPARATUS | RICOH COMPANY, LTD. (JP) | 2009-09-24 | — | — | WO | disclosed |
| US-20090061303-A1 | NONAQUEOUS-ELECTROLYTE BATTERY | KABUSHIKI KAISHA TOSHIBA (JP) | 2009-03-05 | — | — | US | disclosed |
| US-20080102376-A1 | Method for Producing Difluorophosphate, Nonaqueous Electrolyte Solution for Secondary Battery and Nonaqueous Electrolyte Secondary Battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-05-01 | — | — | US | disclosed |
| JP-H10112215-A | SOLID ELECTROLYTE AND NON-AQUEOUS BATTERY | ASAHI CHEM IND CO LTD | 1998-04-28 | — | — | JP | disclosed |
| US-4140741-A | WET SPINNING | AGROFERM A.G. (CH) | 1979-02-20 | — | — | US | disclosed |
| US-4101533-A | SOLVENT EXTRACTION | AGROFERM AG (CH) | 1978-07-18 | — | — | US | disclosed |