⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10643014 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL18931793 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL10643011 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL22820870 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL23265970 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL19424071 | 0.69 | — | — | |
| SCHEMBL8931299 | 0.67 | — | — | |
| SCHEMBL19177004 | 0.67 | — | — | |
| SCHEMBL13370623 | 0.67 | — | — | |
| SCHEMBL19356146 | 0.65 | — | — |
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-20170137463-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2017-05-18 | — | — | US | disclosed |
| US-20170100397-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-04-13 | — | — | US | disclosed |