⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8468098 | 0.95 | CA1 (0.33) | — | |
| SCHEMBL10773607 | 0.81 | CA1 (0.35) | — | |
| SCHEMBL2761850 | 0.76 | SIGMAR1 (0.35) | — | |
| SCHEMBL13880873 | 0.76 | — | — | |
| SCHEMBL349548 | 0.75 | CA1 (0.40) | — | |
| SCHEMBL7126992 | 0.75 | CA1 (0.40) | — | |
| SCHEMBL8465260 | 0.75 | — | — | |
| SCHEMBL11834380 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL20569827 | 0.72 | — | — | |
| SCHEMBL7215764 | 0.72 | — | — |
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-5869471-A | Methods for the treatment of arthritis using phosphonates and NSAIDS | THE PROCTOR & GAMBLE COMPANY (US) | 1999-02-09 | — | — | US | disclosed |
| US-5824661-A | TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-10-20 | — | — | US | disclosed |