⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1554944 | 1.00 | — | — | |
| SCHEMBL854003 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL968453 | 0.98 | GABRR1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL15017812 | 0.98 | GABRR1 (0.50) | — | |
| SCHEMBL28243 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL5458599 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL14992884 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL1691447 | 0.78 | — | — | |
| SCHEMBL1541120 | 0.78 | — | — | |
| SCHEMBL1869403 | 0.78 | — | — |
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 3 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 |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |