⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2187089 | 0.83 | APP (0.39) | — | |
| SCHEMBL1666787 | 0.77 | CYP1A1 (0.52) | — | |
| SCHEMBL1246271 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL5986844 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL20015760 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL3010404 | 0.71 | — | — | |
| SCHEMBL2065387 | 0.71 | — | — | |
| SCHEMBL9334226 | 0.71 | CYP1A1 (0.64) | — | |
| SCHEMBL19929691 | 0.71 | CYP2A6 (0.38) | — | |
| SCHEMBL18508 | 0.71 | — | — |
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-10730848-B2 | Protective molecules against anthrax toxin | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-08-04 | — | — | US | disclosed |
| US-20160016930-A1 | PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-21 | — | — | US | disclosed |
| WO-2014113607-A1 | PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-07-24 | — | — | WO | disclosed |
| EP-1272223-A1 | THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME | KTB Tumorforschungsgesellschaft mbH (DE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001068142-A1 | THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME | KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) | 2001-09-20 | — | — | WO | disclosed |