⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2036698 | 1.00 | — | — | |
| SCHEMBL1981165 | 0.95 | — | — | |
| Lithium Ion SCHEMBL3369260 | 0.86 | — | — | |
| Ethane SCHEMBL10435019 | 0.86 | — | — | |
| Tetrahydrofuran SCHEMBL8787966 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL11451789 | 0.68 | — | — | |
| SCHEMBL5146877 | 0.61 | — | — | |
| SCHEMBL27302514 | 0.60 | — | — | |
| SCHEMBL1846037 | 0.60 | — | — | |
| SCHEMBL5897654 | 0.60 | — | — |
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-6187390-B1 | COATING TRANSPARENT HYDRIDE-CONTAINING ALUMINUM OXIDE ONTO SUBSTRATE OR INCORPORATING INTO SUBSTRATE; CONVERTING INTO ALUMINUM OXIDE CONTAINING GRAY TO BLACK METALLIC ALUMINUM BY EXPOSING TO ENERGY SOURCE | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-13 | — | — | US | disclosed |