⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19883406 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL11226596 | 0.69 | — | — | |
| SCHEMBL23637864 | 0.67 | — | — | |
| SCHEMBL19760469 | 0.65 | — | — | |
| SCHEMBL12869962 | 0.64 | — | — | |
| SCHEMBL19885736 | 0.62 | — | — | |
| SCHEMBL28901952 | 0.60 | — | — | |
| SCHEMBL24534197 | 0.58 | — | — | |
| SCHEMBL27827401 | 0.55 | — | — | |
| Isobutane SCHEMBL9743529 | 0.55 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101612-B2 | N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes | AMGEN INC. (US) | 2012-01-24 | — | — | US | claimed |
| WO-2009143317-A1 | TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS | WYETH (US) | 2009-11-26 | — | — | WO | disclosed |
| US-7384952-B2 | Pyrazolopyrimidine compound and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-06-10 | — | — | US | disclosed |
| US-7384952-B2 | Pyrazolopyrimidine compound and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-06-10 | — | — | US | disclosed |
| US-20070015271-A1 | Human secreted proteins | HUMAN GENOME SCIENCES, INC. | 2007-01-18 | — | — | US | disclosed |