⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2232788 | 0.82 | TAAR1 (0.48) | — | |
| SCHEMBL1792657 | 0.82 | CA2 (0.45) | — | |
| SCHEMBL4220077 | 0.82 | TAAR1 (0.48) | — | |
| SCHEMBL4220076 | 0.82 | TAAR1 (0.48) | — | |
| SCHEMBL4739789 | 0.82 | TDP1 (0.41) | — | |
| SCHEMBL6870559 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL5370217 | 0.79 | — | — | |
| SCHEMBL5380526 | 0.79 | — | — | |
| SCHEMBL4849154 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL23356017 | 0.77 | LOXL2 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351128-B1 | NOVEL MATERIALS AND THEIR USE FOR THE ELECTROCATALYTIC EVOLUTION OR UPTAKE OF H2 | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2020-03-04 | — | — | EP | disclosed |
| US-8895207-B2 | Materials and their use for the electrocatalytic evolution or uptake of H2 | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-11-25 | — | — | US | disclosed |
| US-20110294044-A1 | Novel Materials and Their Use for the Electrocatalytic Evolution or Uptake of H2 | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2011-12-01 | — | — | US | disclosed |
| EP-2351128-A1 | NOVEL MATERIALS AND THEIR USE FOR THE ELECTROCATALYTIC EVOLUTION OR UPTAKE OF H2 | Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010046774-A1 | NOVEL MATERIALS AND THEIR USE FOR THE ELECTROCATALYTIC EVOLUTION OR UPTAKE OF H2 | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-04-29 | — | — | WO | disclosed |
| EP-2180539-A1 | Novel materials and their use for the electrocatalytic evolution or uptake of H2 | Commissariat à l'Energie Atomique (FR) | 2010-04-28 | — | — | EP | disclosed |