⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9245042 | 0.77 | — | — | |
| SCHEMBL457207 | 0.69 | — | — | |
| SCHEMBL329309 | 0.69 | — | — | |
| SCHEMBL31321269 | 0.66 | — | — | |
| SCHEMBL31197121 | 0.61 | — | — | |
| SCHEMBL5149637 | 0.61 | — | — | |
| SCHEMBL4363796 | 0.61 | — | — | |
| SCHEMBL8762896 | 0.56 | — | — | |
| SCHEMBL861877 | 0.56 | — | — | |
| SCHEMBL18614565 | 0.56 | — | — |
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-5420310-A | Anticoagulants, antiulcer, antiatherosclerosis agents formed in multistage reaction | TORAY INDUSTRIES, INC. (JP) | 1995-05-30 | — | — | US | disclosed |
| US-5202447-A | Stereospecific | TORAY INDUSTRIES, INC. (JP) | 1993-04-13 | — | — | US | disclosed |