⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19176447 | 0.94 | — | — | |
| SCHEMBL19069192 | 0.87 | — | — | |
| SCHEMBL18857366 | 0.87 | — | — | |
| SCHEMBL18431761 | 0.80 | CTSK (0.30) | — | |
| SCHEMBL9004148 | 0.79 | SYK (0.36) | — | |
| SCHEMBL20852712 | 0.76 | NOS2 (0.33) | — | |
| SCHEMBL18948722 | 0.71 | — | — | |
| SCHEMBL18948790 | 0.71 | — | — | |
| SCHEMBL20939068 | 0.71 | — | — | |
| SCHEMBL19176464 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9980964-B2 | ERK inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2018-05-29 | — | — | US | disclosed |
| US-20170210729-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-07-27 | — | — | US | disclosed |
| US-9676785-B2 | HCV protease inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-06-13 | — | — | US | disclosed |