⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10045777 | 0.73 | — | — | |
| SCHEMBL800770 | 0.70 | HPGDS (0.30) | — | |
| SCHEMBL800497 | 0.65 | — | — | |
| SCHEMBL800885 | 0.64 | C3AR1 (0.31) | — | |
| SCHEMBL12452875 | 0.64 | C3AR1 (0.30) | — | |
| SCHEMBL12299190 | 0.63 | GPR119 (0.34) | — | |
| SCHEMBL800887 | 0.61 | — | — | |
| SCHEMBL12452865 | 0.60 | HDAC1 (0.34) | — | |
| SCHEMBL30424999 | 0.58 | ALDH1A1 (0.59) | — | |
| SCHEMBL800773 | 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 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 |