⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1556637 | 1.00 | — | — | |
| SCHEMBL1555156 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1094574 | 0.98 | GABRR1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL5317901 | 0.98 | GABRR1 (0.38) | — | |
| Sulfuric Acid SCHEMBL30931572 | 0.92 | CA14 (0.36) | — | |
| SCHEMBL7826438 | 0.86 | CA1 (0.39) | — | |
| SCHEMBL5076556 | 0.86 | CA1 (0.39) | — | |
| SCHEMBL22525167 | 0.84 | GABRR1 (0.36) | — | |
| SCHEMBL22820651 | 0.83 | — | — | |
| SCHEMBL22805133 | 0.83 | — | — |
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-6420427-B1 | PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1024134-A1 | AMINOBUTANOIC ACID DERIVATIVES | ONO PHARMACEUTICAL CO., LTD. (JP) | 2000-08-02 | — | — | EP | disclosed |