⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9988919 | 0.71 | THRB (0.32) | — | |
| SCHEMBL10567539 | 0.68 | — | — | |
| SCHEMBL10564355 | 0.67 | GPR84 (0.37) | — | |
| SCHEMBL2361873 | 0.67 | — | — | |
| SCHEMBL87984 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL11687744 | 0.66 | — | — | |
| SCHEMBL7196053 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL28308691 | 0.65 | THRB (0.31) | — | |
| SCHEMBL29080693 | 0.64 | MAPT (0.31) | — | |
| SCHEMBL45583 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1989006911-A1 | PROCESS FOR MANUFACTURING CIGARETTES EMPLOYING PRESELECTED ALCOHOLS | C.A. BLOCKERS, INC. (US) | 1989-08-10 | — | — | WO | disclosed |