⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1141181 | 0.81 | — | — | |
| SCHEMBL7748710 | 0.78 | CPB2 (0.44) | — | |
| SCHEMBL373953 | 0.73 | — | — | |
| SCHEMBL18835265 | 0.71 | — | — | |
| SCHEMBL14842231 | 0.71 | — | — | |
| SCHEMBL1696866 | 0.71 | — | — | |
| SCHEMBL9654521 | 0.69 | RYR2 (0.33) | — | |
| SCHEMBL5037293 | 0.69 | USP2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1696806 | 0.69 | — | — | |
| SCHEMBL4437885 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220119419-A1 | BYCYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (HK) | 2022-04-21 | — | — | US | disclosed |
| WO-2020198583-A1 | BICYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2020-10-01 | — | — | WO | disclosed |