⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8345469 | 1.00 | — | — | |
| SCHEMBL8347909 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL8347908 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL8343531 | 0.78 | — | — | |
| SCHEMBL8343537 | 0.78 | — | — | |
| SCHEMBL10071254 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL8349829 | 0.75 | HCAR2 (0.39) | — | |
| SCHEMBL8349838 | 0.75 | HCAR2 (0.39) | — | |
| SCHEMBL14415260 | 0.74 | — | — | |
| SCHEMBL20857156 | 0.73 | ALDH1A1 (0.30) | — |
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-5981525-A | FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |