⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23519002 | 0.76 | PLAU (0.30) | — | |
| SCHEMBL23518999 | 0.70 | ESR1 (0.37) | — | |
| SCHEMBL26343100 | 0.69 | POLB (0.32) | — | |
| SCHEMBL23519003 | 0.67 | NOTUM (0.36) | — | |
| SCHEMBL24360854 | 0.65 | VCAM1 (0.32) | — | |
| SCHEMBL7875529 | 0.64 | TTR (0.40) | — | |
| SCHEMBL19678495 | 0.64 | THRA (0.36) | — | |
| SCHEMBL24361857 | 0.63 | VCAM1 (0.37) | — | |
| SCHEMBL19846377 | 0.63 | ACP1 (0.32) | — | |
| SCHEMBL19846328 | 0.63 | LMNA (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210179554-A1 | ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-06-17 | — | — | US | disclosed |