⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25369963 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL6695144 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL16665114 | 0.75 | — | — | |
| SCHEMBL11843098 | 0.71 | — | — | |
| SCHEMBL5470839 | 0.71 | — | — | |
| SCHEMBL16808897 | 0.71 | — | — | |
| SCHEMBL909232 | 0.71 | — | — | |
| SCHEMBL5137462 | 0.71 | — | — | |
| SCHEMBL1071333 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8777269 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021038540-A1 | CYCLOALKYLIDENE CARBOXYLIC ACIDS AND DERIVATIVES AS BTK INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2021-03-04 | — | — | WO | disclosed |
| WO-2015089479-A1 | METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-06-18 | — | — | WO | disclosed |