⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27959661 | 0.78 | — | — | |
| SCHEMBL28099924 | 0.77 | — | — | |
| SCHEMBL21635479 | 0.77 | — | — | |
| SCHEMBL28058103 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL27698475 | 0.74 | — | — | |
| SCHEMBL28017110 | 0.73 | — | — | |
| SCHEMBL7559945 | 0.72 | — | — | |
| SCHEMBL27959663 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL28178321 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL27220791 | 0.70 | — | — |
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-20140004043-A1 | CRYPTOPHANE DERIVATIVES AND METHODS OF USE THEREOF | GEORGETOWN UNIVERISTY (US) | 2014-01-02 | — | — | US | disclosed |
| US-8222022-B2 | Tri-functionalized cryptophane biosensors | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-07-17 | — | — | US | disclosed |
| WO-2012051323-A2 | CRYPTOPHANE DERIVATIVES AND METHODS OF USE THEREOF | GEORGETOWN UNIVERSITY (US) | 2012-04-19 | — | — | WO | disclosed |
| US-20100105099-A1 | TRI-FUNCTIONALIZED CRYPTOPHANE, SYNTHESIS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-04-29 | — | — | US | disclosed |