⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10819298 | 0.72 | — | — | |
| SCHEMBL766771 | 0.72 | — | — | |
| SCHEMBL5571622 | 0.72 | — | — | |
| SCHEMBL10171755 | 0.72 | — | — | |
| SCHEMBL5132296 | 0.68 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL10490865 | 0.68 | — | — | |
| SCHEMBL2678608 | 0.68 | — | — | |
| SCHEMBL6398798 | 0.67 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL11449331 | 0.67 | TSHR (0.49) | — | |
| SCHEMBL7341604 | 0.67 | TSHR (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-5824661-A | TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-10-20 | — | — | US | disclosed |