⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL9576252 | 0.90 | CA12 (0.52) | — | |
| SCHEMBL8637485 | 0.81 | CA12 (0.35) | — | |
| SCHEMBL19809449 | 0.79 | ALDH1A1 (0.53) | — | |
| SCHEMBL29052487 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL29568659 | 0.74 | — | — | |
| SCHEMBL2316971 | 0.74 | — | — | |
| SCHEMBL9775497 | 0.72 | LMNA (0.45) | — | |
| Catechol SCHEMBL30944695 | 0.69 | ALDH1A1 (1.00) | — | |
| Catechol SCHEMBL30088487 | 0.69 | — | — | |
| Catechol SCHEMBL367675 | 0.69 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2000084483-A | MULTILAYER COATING FILM FORMING METHOD | KANSAI PAINT CO LTD | 2000-03-28 | — | — | JP | disclosed |
| EP-0020210-B1 | GAS ADSORPTION AGENTS ESPECIALLY USEFUL FOR THE SEPARATION OF HYDROGEN FROM A GASEOUS PHASE | ANVAR Agence Nationale de Valorisation de la Recherche (FR) | 1983-03-23 | — | — | EP | disclosed |
| US-4359327-A | HYDROGEN ELECTRODES, PARACYCLOPHANES | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) | 1982-11-16 | — | — | US | disclosed |
| EP-0020210-A1 | Gas adsorption agents especially useful for the separation of hydrogen from a gaseous phase | ANVAR Agence Nationale de Valorisation de la Recherche (FR) | 1980-12-10 | — | — | EP | disclosed |