⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19983586 | 0.86 | CTSD (0.38) | — | |
| SCHEMBL13431173 | 0.80 | DUSP3 (0.39) | — | |
| SCHEMBL10035859 | 0.71 | — | — | |
| SCHEMBL12156967 | 0.71 | — | — | |
| Duroquinone SCHEMBL58325 | 0.71 | MAOA (0.38) | — | |
| SCHEMBL14459682 | 0.68 | — | — | |
| SCHEMBL13581861 | 0.68 | MAOA (0.36) | — | |
| SCHEMBL10486657 | 0.68 | MAOA (0.36) | — | |
| Duroquinone SCHEMBL11473070 | 0.68 | MAOA (0.36) | — | |
| SCHEMBL18213670 | 0.67 | CTSD (0.31) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230151059-A1 | IMMUNOMODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-05-18 | — | — | US | disclosed |
| US-20170084839-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |
| US-8624035-B2 | Functionalized cyanine having a silane linker arm, a method of preparing thereof and uses thereof | UNIVERSITA' DEGLI STUDI DI TORINO (IT) | 2014-01-07 | — | — | US | disclosed |
| US-8524732-B2 | Substituted tetrahydroquinolines | MERCK PATENT GMBH (DE) | 2013-09-03 | — | — | US | disclosed |
| US-8193164-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-06-05 | — | — | US | disclosed |
| US-8034626-B2 | Labels, their production process and their uses | LABORATOIRES SYNTH-INNOVE (FR) | 2011-10-11 | — | — | US | disclosed |
| US-20100190784-A1 | Organic Compounds | NOVARTIS AG | 2010-07-29 | — | — | US | disclosed |
| US-20100129293-A1 | Near Infrared Imaging Agent | INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) | 2010-05-27 | — | — | US | disclosed |
| US-7655217-B2 | Near infrared imaging agent | Institut fur Diagnosikforschung GmbH (DE) | 2010-02-02 | — | — | US | disclosed |
| US-20100022579-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | Merck Patent Gesellschaft mit bescrankter Haftung (DE) | 2010-01-28 | — | — | US | disclosed |
| US-20090148384-A1 | FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES | BAYER SCHERING PHARMA AG (DE) | 2009-06-11 | — | — | US | disclosed |
| US-7445767-B2 | In-vivo diagnostic method by near infrared radiation | INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20080138820-A1 | METHOD FOR DETERMINING GENOTOXICITY | GE HEALTHCARE UK LIMITED (GB) | 2008-06-12 | — | — | US | disclosed |