⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2656053 | 0.87 | ACHE (0.48) | — | |
| SCHEMBL288938 | 0.86 | EPHX1 (0.59) | — | |
| SCHEMBL18470773 | 0.81 | — | — | |
| SCHEMBL27972879 | 0.81 | ACHE (0.43) | — | |
| SCHEMBL11655101 | 0.81 | ACHE (0.43) | — | |
| SCHEMBL4044207 | 0.80 | — | — | |
| SCHEMBL42937 | 0.80 | — | — | |
| SCHEMBL2912153 | 0.77 | ACHE (0.48) | — | |
| SCHEMBL28700176 | 0.76 | KDM4E (0.40) | — | |
| SCHEMBL851200 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8580820-B2 | Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof | KEMTECH S.R.L. (IT) | 2013-11-12 | — | — | US | disclosed |
| US-20110152238-A1 | PHARMACEUTICAL COMPOUNDS | NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) | 2011-06-23 | — | — | US | disclosed |
| EP-0126088-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | E.R. SQUIBB & SONS, INC. (US) | 1984-11-28 | — | — | EP | disclosed |
| US-4463015-A | Aryl substituted 7-oxabicycloheptane compounds, useful in inhibiting platelet aggregation | E. R. SQUIBB & SONS, INC. (US) | 1984-07-31 | — | — | US | disclosed |
| WO-1984000754-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | SQUIBB & SONS INC (US) | 1984-03-01 | — | — | WO | disclosed |
| US-4418076-A | 7-Oxabicycloheptane hydrazone prostaglandin analogs useful in treating thrombolytic diseases | E. R. SQUIBB & SONS, INC. (US) | 1983-11-29 | — | — | US | disclosed |