⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9968679 | 0.89 | EPHX1 (0.33) | — | |
| SCHEMBL776005 | 0.77 | FAAH (0.30) | — | |
| SCHEMBL15702986 | 0.73 | EPHX1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL18008823 | 0.71 | EPHX1 (0.31) | — | |
| Lithium Ion SCHEMBL18008531 | 0.71 | KCNH2 (0.30) | — | |
| Potassium Ion SCHEMBL18008421 | 0.71 | KCNH2 (0.30) | — | |
| SCHEMBL18008572 | 0.71 | KCNH2 (0.30) | — | |
| SCHEMBL4297517 | 0.71 | USP2 (0.35) | — | |
| SCHEMBL781139 | 0.71 | USP2 (0.35) | — | |
| Butane SCHEMBL748065 | 0.70 | EPHX1 (0.33) | — |
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-8431326-B2 | Salt and photoresist composition comprising the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-04-30 | — | — | US | disclosed |
| US-20120088190-A1 | SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-04-12 | — | — | US | disclosed |