⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28377922 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL29382796 | 0.81 | — | — | |
| Boric Acid SCHEMBL27984514 | 0.75 | — | — | |
| SCHEMBL27905888 | 0.70 | — | — | |
| SCHEMBL362364 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL28879137 | 0.69 | — | — | |
| SCHEMBL194317 | 0.67 | THRB (0.30) | — | |
| SCHEMBL6104124 | 0.65 | — | — | |
| SCHEMBL362863 | 0.65 | — | — | |
| SCHEMBL615411 | 0.65 | — | — |
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-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2003022844-A9 | SYNTHESIS OF EPOTHILONES INTERMEDIATES THERETO AND ANALOGUES THEREOF | SLOAN KETTERING INST CANCER (US) | 2004-04-15 | — | — | WO | disclosed |
| US-20030176368-A1 | Synthesis of epothilones, intermediates thereto and analogues thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-09-18 | — | — | US | disclosed |
| WO-2003022844-A2 | SYNTHESIS OF EPOTHILONES INTERMEDIATES THERETO AND ANALOGUES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2003-03-20 | — | — | WO | disclosed |