⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10045801 | 0.96 | — | — | |
| SCHEMBL800450 | 0.83 | — | — | |
| SCHEMBL14392117 | 0.80 | HSD17B10 (0.31) | — | |
| SCHEMBL10045810 | 0.79 | — | — | |
| SCHEMBL801051 | 0.74 | TERT (0.37) | — | |
| SCHEMBL10045800 | 0.70 | TERT (0.39) | — | |
| SCHEMBL12453060 | 0.69 | TERT (0.31) | — | |
| SCHEMBL800988 | 0.63 | — | — | |
| SCHEMBL10045784 | 0.59 | TERT (0.42) | — | |
| SCHEMBL10045806 | 0.58 | TERT (0.31) | — |
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-8518928-B2 | Therapeutic compounds | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120071527-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-22 | — | — | US | disclosed |