⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7946242 | 0.72 | — | — | |
| SCHEMBL6553647 | 0.72 | — | — | |
| SCHEMBL1403146 | 0.70 | ARG1 (0.30) | — | |
| SCHEMBL27604278 | 0.69 | — | — | |
| SCHEMBL7277964 | 0.68 | ARG1 (0.33) | — | |
| SCHEMBL6703733 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL27729449 | 0.67 | — | — | |
| SCHEMBL2955147 | 0.66 | — | — | |
| SCHEMBL5274452 | 0.66 | — | — | |
| SCHEMBL4992990 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026083-A | Diamide macrocycles as factor XIA inhibitors | 百时美施贵宝公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107849026-A | Carry alkyl or cycloalkyl P2,Partial factor XI, plasma thromboplastin antecedent A macrocyclic hcv inhibitors | 百时美施贵宝公司 | 2018-03-27 | — | — | CN | disclosed |