⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5491179 | 0.72 | — | — | |
| Acetonitrile SCHEMBL5023780 | 0.64 | ACHE (0.36) | — | |
| SCHEMBL28765828 | 0.64 | CYP1A2 (0.30) | — | |
| SCHEMBL2347684 | 0.61 | LMNA (0.31) | — | |
| SCHEMBL28612929 | 0.61 | CA2 (0.32) | — | |
| SCHEMBL17668348 | 0.61 | MEN1 (0.30) | — | |
| SCHEMBL5948758 | 0.56 | MAOA (0.38) | — | |
| SCHEMBL2187122 | 0.56 | ALDH1A1 (0.37) | — | |
| Propionaldehyde SCHEMBL27292974 | 0.55 | ALDH1A1 (0.52) | — | |
| SCHEMBL9461285 | 0.54 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5279895-A | Containing hollow spheres | MATSUSHITA ELECTRIC WORKS, LTD. (JP) | 1994-01-18 | — | — | US | disclosed |
| US-5160781-A | Printed circuits | MATSUSHITA ELECTRIC WORKS, LTD. (JP) | 1992-11-03 | — | — | US | disclosed |