⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28140784 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL24083946 | 0.81 | ADH1C (0.39) | — | |
| SCHEMBL7727423 | 0.81 | ADH1C (0.39) | — | |
| SCHEMBL24329483 | 0.81 | ADH1C (0.39) | — | |
| SCHEMBL10424684 | 0.79 | EPHX1 (0.42) | — | |
| SCHEMBL934631 | 0.76 | POLB (0.35) | — | |
| SCHEMBL12303336 | 0.69 | — | — | |
| SCHEMBL19222000 | 0.67 | — | — | |
| SCHEMBL14724552 | 0.63 | IRAK4 (0.34) | — | |
| SCHEMBL8214008 | 0.63 | IRAK4 (0.34) | — |
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-6821971-B2 | FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA | THE PROCTER & GAMBLE COMPANY | 2004-11-23 | — | — | US | claimed |
| CN-107849024-A | With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound | 吉利德科学公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107567449-A | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2018-01-09 | — | — | CN | disclosed |