⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9872649 | 0.79 | — | — | |
| SCHEMBL9872511 | 0.79 | SNCA (0.30) | — | |
| SCHEMBL9872905 | 0.76 | — | — | |
| SCHEMBL3426413 | 0.76 | KCNJ1 (0.30) | — | |
| SCHEMBL196009 | 0.73 | — | — | |
| SCHEMBL1545888 | 0.72 | — | — | |
| SCHEMBL7049757 | 0.72 | ACHE (0.38) | — | |
| SCHEMBL5327937 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL7211249 | 0.68 | NOTUM (0.41) | — | |
| SCHEMBL513232 | 0.68 | ALDH1A1 (0.44) | — |
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-5073574-A | TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF | CIBA-GEIGY CORPORATION (US) | 1991-12-17 | — | — | US | disclosed |