⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6363376 | 0.71 | — | — | |
| SCHEMBL3233017 | 0.67 | — | — | |
| SCHEMBL820047 | 0.64 | — | — | |
| SCHEMBL5945223 | 0.64 | — | — | |
| SCHEMBL7110488 | 0.61 | TRPA1 (0.32) | — | |
| SCHEMBL16095480 | 0.61 | TRPA1 (0.32) | — | |
| SCHEMBL7114578 | 0.61 | — | — | |
| SCHEMBL4148917 | 0.61 | — | — | |
| SCHEMBL3941548 | 0.60 | — | — | |
| SCHEMBL183356 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110009485-A9 | SYNTHESIS OF SCABRONINES AND ANALOGUES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-01-13 | — | — | US | claimed |
| US-20090186940-A1 | Synthesis of Scabronines and Analogues Thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2009-07-23 | — | — | US | claimed |
| WO-2007013965-A2 | SYNTHESIS OF SCABRONINES AND ANALOGUES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2007-02-01 | — | — | WO | claimed |
| US-7910623-B2 | Synthesis of scabronines and analogues thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-03-22 | — | — | US | disclosed |
| US-20110009485-A9 | SYNTHESIS OF SCABRONINES AND ANALOGUES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-01-13 | — | — | US | disclosed |
| US-20090186940-A1 | Synthesis of Scabronines and Analogues Thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2009-07-23 | — | — | US | disclosed |
| WO-2007013965-A2 | SYNTHESIS OF SCABRONINES AND ANALOGUES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2007-02-01 | — | — | WO | disclosed |