⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24486563 | 0.90 | CES2 (0.32) | — | |
| SCHEMBL20724934 | 0.90 | CTSB (0.30) | — | |
| SCHEMBL20937444 | 0.89 | CES2 (0.34) | — | |
| SCHEMBL20724933 | 0.86 | — | — | |
| SCHEMBL18737539 | 0.83 | ACLY (0.30) | — | |
| SCHEMBL12683591 | 0.83 | CTSB (0.31) | — | |
| SCHEMBL19800941 | 0.77 | CES2 (0.35) | — | |
| SCHEMBL20216161 | 0.76 | CTSB (0.31) | — | |
| SCHEMBL20987694 | 0.75 | — | — | |
| SCHEMBL8235048 | 0.70 | — | — |
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-10828300-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-11-10 | — | — | US | disclosed |
| US-20190117650-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-04-25 | — | — | US | disclosed |
| US-9561228-B2 | ERK inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2017-02-07 | — | — | US | disclosed |