⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL173220 | 0.71 | — | — | |
| SCHEMBL19298582 | 0.71 | TSHR (1.00) | — | |
| SCHEMBL3008675 | 0.71 | — | — | |
| Benzene SCHEMBL17977991 | 0.71 | TSHR (1.00) | — | |
| SCHEMBL4454 | 0.71 | — | — | |
| Diphenylamine SCHEMBL3003404 | 0.69 | HSD17B10 (1.00) | — | |
| Hydrazobenzene SCHEMBL51179 | 0.69 | ALDH1A1 (1.00) | — | |
| Diphenylamine SCHEMBL229 | 0.69 | HSD17B10 (1.00) | — | |
| Diphenylamine SCHEMBL301493 | 0.69 | HSD17B10 (1.00) | — | |
| Diphenylamine SCHEMBL1619083 | 0.69 | HSD17B10 (1.00) | — |
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-8101786-B2 | Energy efficient synthesis of boranes | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2012-01-24 | — | — | US | claimed |
| US-20110105706-A1 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-05-05 | — | — | US | claimed |
| US-20090297423-A1 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2009-12-03 | — | — | US | claimed |
| EP-1984406-A2 | ENERGY EFFICIENT SYNTHESIS OF BORANES | Los Alamos National Security, LLC (US) | 2008-10-29 | — | — | EP | claimed |
| WO-2007092601-A2 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2007-08-16 | — | — | WO | claimed |
| US-20070189950-A1 | Energy efficient synthesis of boranes | LOS ALAMOS NATIONAL SECURITY, LLC | 2007-08-16 | — | — | US | claimed |
| US-8101786-B2 | Energy efficient synthesis of boranes | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110105706-A1 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-05-05 | — | — | US | disclosed |
| US-7837852-B2 | Energy efficient synthesis of boranes | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2010-11-23 | — | — | US | disclosed |
| US-20090297423-A1 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2009-12-03 | — | — | US | disclosed |
| EP-1984406-A2 | ENERGY EFFICIENT SYNTHESIS OF BORANES | Los Alamos National Security, LLC (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007092601-A2 | ENERGY EFFICIENT SYNTHESIS OF BORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2007-08-16 | — | — | WO | disclosed |
| US-20070189950-A1 | Energy efficient synthesis of boranes | LOS ALAMOS NATIONAL SECURITY, LLC | 2007-08-16 | — | — | US | disclosed |