⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL800505 | 0.97 | — | — | |
| SCHEMBL10045806 | 0.73 | TERT (0.31) | — | |
| SCHEMBL10045784 | 0.70 | TERT (0.42) | — | |
| SCHEMBL10045796 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL10045797 | 0.64 | ATM (0.36) | — | |
| SCHEMBL800969 | 0.59 | TERT (0.44) | — | |
| SCHEMBL16043809 | 0.56 | SMYD2 (0.43) | — | |
| SCHEMBL15209214 | 0.56 | SMYD2 (0.43) | — | |
| SCHEMBL23833335 | 0.55 | SMYD2 (0.37) | — | |
| SCHEMBL30078357 | 0.55 | SMYD2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093235-B2 | Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-01-10 | — | — | US | disclosed |
| US-20090156627-A1 | THERAPEUTIC COMPOUNDS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-06-18 | — | — | US | disclosed |