⚠ 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL10012675 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL180612 | 1.00 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL20503401 | 0.93 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL3628777 | 0.93 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.93 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.93 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL25297067 | 0.86 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL22800861 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL21268474 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL6222911 | 0.86 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104069546-A | Anti-infective functionalized surfaces and methods of making same | ORTHOBOND CORP | 2014-10-01 | — | — | CN | claimed |
| CN-102365103-A | Anti-infective functionalized surfaces and methods of making same | ORTHOBOND CORP | 2012-02-29 | — | — | CN | claimed |
| CN-104053545-B | Composite and application composition | TOTO LTD. (JP) | 2016-01-13 | — | — | CN | disclosed |
| CN-104069546-A | Anti-infective functionalized surfaces and methods of making same | ORTHOBOND CORP | 2014-10-01 | — | — | CN | disclosed |
| CN-104053545-A | Composite material and coating composition | TOTO LTD | 2014-09-17 | — | — | CN | disclosed |
| CN-102365103-A | Anti-infective functionalized surfaces and methods of making same | ORTHOBOND CORP | 2012-02-29 | — | — | CN | disclosed |
| CN-102215962-A | Carbon dioxide reduction | AGENCY SCIENCE TECH & RES | 2011-10-12 | — | — | CN | disclosed |
| US-20110243821-A1 | CARBON DIOXIDE REDUCTION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-10-06 | — | — | US | disclosed |
| EP-1621543-B1 | Method for obtaining polysulphur monoorganoxysilanes | RHODIA CHIMIE SA (FR) | 2009-03-25 | — | — | EP | disclosed |
| EP-1621543-A1 | Method for obtaining polysulphur monoorganoxysilanes | RHODIA CHIMIE (FR) | 2006-02-01 | — | — | EP | disclosed |