⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6740228 | 0.93 | — | — | |
| SCHEMBL7037464 | 0.93 | — | — | |
| SCHEMBL7037439 | 0.92 | — | — | |
| SCHEMBL7038568 | 0.90 | — | — | |
| SCHEMBL7036287 | 0.87 | — | — | |
| SCHEMBL7031504 | 0.86 | — | — | |
| SCHEMBL7036298 | 0.84 | — | — | |
| SCHEMBL7034895 | 0.84 | — | — | |
| SCHEMBL7035848 | 0.82 | — | — | |
| SCHEMBL7027847 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040023965-A1 | Imidazo-triazines as corticotropin releasing factor antagonists | GILLIGAN PAUL JOSEPH (US) | 2004-02-05 | — | — | US | disclosed |
| US-6579876-B2 | Imidazo(4,5-d)pyridazines | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-06-17 | — | — | US | disclosed |
| US-6521636-B1 | Treatment of psychiatric disorders and neurological diseases | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-18 | — | — | US | disclosed |
| US-6365589-B1 | FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-02 | — | — | US | disclosed |