⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1973893 | 0.93 | — | — | |
| SCHEMBL25636212 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL19509522 | 0.78 | — | — | |
| SCHEMBL4544408 | 0.76 | — | — | |
| SCHEMBL1109971 | 0.74 | CES2 (0.45) | — | |
| SCHEMBL17357108 | 0.73 | — | — | |
| Methane SCHEMBL21230718 | 0.72 | — | — | |
| SCHEMBL18655981 | 0.71 | — | — | |
| SCHEMBL478009 | 0.71 | — | — | |
| SCHEMBL18655980 | 0.71 | — | — |
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-20230293519-A1 | INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS | PLIANT THERAPEUTICS INC (US) | 2023-09-21 | — | — | US | disclosed |
| EP-4093509-A1 | SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2022-11-30 | — | — | EP | disclosed |