⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8722271 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL232139 | 0.68 | — | — | |
| SCHEMBL622400 | 0.68 | — | — | |
| SCHEMBL4724612 | 0.67 | HCAR3 (0.33) | — | |
| SCHEMBL2226753 | 0.66 | — | — | |
| SCHEMBL951386 | 0.64 | — | — | |
| SCHEMBL22372230 | 0.64 | SCN9A (0.36) | — | |
| SCHEMBL11729624 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL4550661 | 0.63 | — | — | |
| SCHEMBL9472234 | 0.63 | CRHR1 (0.32) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391631-B1 | NOVEL MATERIAL WITH SPIN TRANSITION, AND METHOD FOR MAKING SAME | CENTRE NAT RECH SCIENT (FR) | 2015-03-11 | — | — | EP | disclosed |
| EP-2170915-B1 | SPIN TRANSITION MATERIAL | CENTRE NAT RECH SCIENT (FR) | 2015-01-14 | — | — | EP | disclosed |
| US-8753743-B2 | Nanoparticles of a spin transition compound | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-06-17 | — | — | US | disclosed |
| US-8709599-B2 | Spin transition material | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-04-29 | — | — | US | disclosed |
| US-20130011680-A1 | NANOPARTICLES OF A SPIN TRANSITION COMPOUND | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2013-01-10 | — | — | US | disclosed |
| EP-2391631-A1 | NOVEL MATERIAL WITH SPIN TRANSITION, AND METHOD FOR MAKING SAME | Centre National de la Recherche Scientifique (FR) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010086550-A1 | NOVEL MATERIAL WITH SPIN TRANSITION, AND METHOD FOR MAKING SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2010-08-05 | — | — | WO | disclosed |
| US-20100178511-A1 | SPIN TRANSITION MATERIAL | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2010-07-15 | — | — | US | disclosed |
| EP-2170915-A2 | SPIN TRANSITION MATERIAL | Centre National De La Recherche Scientifique (FR) | 2010-04-07 | — | — | EP | disclosed |
| EP-1960410-B1 | NANOPARTICLES OF A SPIN TRANSITION COMPOUND | CENTRE NAT RECH SCIENT (FR) | 2010-03-03 | — | — | EP | disclosed |
| WO-2009007534-A2 | SPIN TRANSITION MATERIAL | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2009-01-15 | — | — | WO | disclosed |
| US-20080311401-A1 | Nanoparticle of a Spin Transition Compound | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2008-12-18 | — | — | US | disclosed |
| EP-1960410-A1 | NANOPARTICLES OF A SPIN TRANSITION COMPOUND | Centre National de la Recherche Scientifique (FR) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007065996-A1 | NANOPARTICLES OF A SPIN TRANSITION COMPOUND | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-06-14 | — | — | WO | disclosed |