⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL501724 | 1.00 | — | — | |
| SCHEMBL3801746 | 0.88 | — | — | |
| SCHEMBL11288606 | 0.88 | — | — | |
| SCHEMBL3801740 | 0.88 | — | — | |
| SCHEMBL106893 | 0.78 | — | — | |
| SCHEMBL15771705 | 0.78 | — | — | |
| SCHEMBL106894 | 0.78 | — | — | |
| SCHEMBL5694808 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL28052369 | 0.77 | — | — | |
| SCHEMBL10795205 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080054171-A1 | Target for Laser Desorption/Ionisation Mass Spectrometry | PHYSIKALISCHES BURO STEINMULLER GMBH | 2008-03-06 | — | — | US | claimed |
| WO-2007030849-A1 | METHOD FOR DETECTING ORGANIC COMPOUNDS | Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) | 2007-03-22 | — | — | WO | claimed |
| EP-1738397-A2 | TARGET FOR LASER DESORPTION/IONISATION MASS SPECTROMETRY | Physikalisches Büro Steinmüller GmbH (AT) | 2007-01-03 | — | — | EP | claimed |
| WO-2005096346-A2 | TARGET FOR LASER DESORPTION/IONISATION MASS SPECTROMETRY | PHYSIKALISCHES BÜRO STEINMÜLLER GMBH (AT) | 2005-10-13 | — | — | WO | claimed |
| US-8105513-B2 | Pipette tip containing particle-filled polymer monolith | BONN ALEXANDER (AT) | 2012-01-31 | — | — | US | disclosed |
| US-20100009845-A1 | Pipette Tip Containing Particle-Filled Polymer Monolith | BONN ALEXANDER | 2010-01-14 | — | — | US | disclosed |
| US-20080054171-A1 | Target for Laser Desorption/Ionisation Mass Spectrometry | PHYSIKALISCHES BURO STEINMULLER GMBH | 2008-03-06 | — | — | US | disclosed |
| WO-2007030849-A1 | METHOD FOR DETECTING ORGANIC COMPOUNDS | Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) | 2007-03-22 | — | — | WO | disclosed |
| EP-1738397-A2 | TARGET FOR LASER DESORPTION/IONISATION MASS SPECTROMETRY | Physikalisches Büro Steinmüller GmbH (AT) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005096346-A2 | TARGET FOR LASER DESORPTION/IONISATION MASS SPECTROMETRY | PHYSIKALISCHES BÜRO STEINMÜLLER GMBH (AT) | 2005-10-13 | — | — | WO | disclosed |