⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1300181 | 0.86 | — | — | |
| SCHEMBL18099880 | 0.86 | — | — | |
| SCHEMBL11116117 | 0.83 | — | — | |
| SCHEMBL11116122 | 0.83 | — | — | |
| SCHEMBL1234657 | 0.77 | — | — | |
| SCHEMBL93703 | 0.77 | — | — | |
| SCHEMBL640490 | 0.77 | — | — | |
| SCHEMBL17988353 | 0.77 | — | — | |
| SCHEMBL11117462 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10882818 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160333145-A1 | DISINTEGRATABLE POROUS ORGANOMETALOXYDE MATERIAL | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) | 2016-11-17 | — | — | US | disclosed |