⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106464 | 0.78 | HRH3 (0.37) | — | |
| SCHEMBL9611082 | 0.76 | ATM (0.32) | — | |
| SCHEMBL21933618 | 0.76 | — | — | |
| SCHEMBL10202604 | 0.76 | — | — | |
| SCHEMBL22959617 | 0.76 | — | — | |
| SCHEMBL16814052 | 0.75 | ATM (0.30) | — | |
| SCHEMBL1106443 | 0.74 | SIGMAR1 (0.32) | — | |
| SCHEMBL12395683 | 0.73 | HRH3 (0.41) | — | |
| SCHEMBL1106458 | 0.73 | HRH3 (0.40) | — | |
| SCHEMBL25143813 | 0.71 | POLB (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9790235-B2 | MK2 inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-10-17 | — | — | US | disclosed |
| US-20170114073-A1 | MK2 INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-04-27 | — | — | US | disclosed |
| US-9458175-B2 | MK2 inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-10-04 | — | — | US | disclosed |
| WO-2016044463-A2 | MK2 INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-03-24 | — | — | WO | disclosed |