⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4715987 | 0.82 | — | — | |
| SCHEMBL11970000 | 0.81 | HTT (0.42) | — | |
| SCHEMBL33704 | 0.79 | HTT (0.49) | — | |
| SCHEMBL7559774 | 0.78 | HTT (0.35) | — | |
| Ethylene SCHEMBL8740481 | 0.77 | HTT (0.47) | — | |
| SCHEMBL6446554 | 0.77 | — | — | |
| SCHEMBL4062320 | 0.77 | — | — | |
| SCHEMBL948033 | 0.77 | — | — | |
| SCHEMBL7059955 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL8844648 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2443103-A1 | OXABICYCLO [4.1.O]HEPT-B-EN-S-YLCARBAMOYL DERIVATIVES INHIBITING THE NUCLEAR FACTOR-KAPPA(B) - (NF-KB) | Profectus Biosciences, Inc. (US) | 2012-04-25 | — | — | EP | disclosed |
| US-20120088827-A1 | Oxabicyclo[4.1.0]Hept-B-en-S-yl Carbamoyl Derivatives Inhibiting The Nuclear Factor-Kappa (B) - (NF-KB) | PROFECTUS BIOSCIENCES, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| WO-2010148042-A1 | OXABICYCLO [4.1.O]HEPT-B-EN-S-YLCARBAMOYL DERIVATIVES INHIBITING THE NUCLEAR FACTOR-KAPPA(B) - (NF-KB) | PROFECTUS BIOSCIENCES, INC. (US) | 2010-12-23 | — | — | WO | disclosed |