⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20878813 | 0.70 | MEN1 (0.38) | — | |
| SCHEMBL6064124 | 0.69 | — | — | |
| SCHEMBL2354252 | 0.64 | SHBG (0.31) | — | |
| SCHEMBL21066958 | 0.62 | SHBG (0.36) | — | |
| SCHEMBL9750886 | 0.61 | — | — | |
| SCHEMBL2335573 | 0.61 | EPHX1 (0.34) | — | |
| SCHEMBL11047546 | 0.61 | EPHX1 (0.31) | — | |
| SCHEMBL4082677 | 0.61 | — | — | |
| SCHEMBL7738636 | 0.60 | EPHX1 (0.48) | — | |
| SCHEMBL7738664 | 0.60 | EPHX1 (0.48) | — |
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-8791290-B2 | Acetal compound, polymer, resist composition, and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-07-29 | — | — | US | disclosed |
| US-20110236831-A1 | ACETAL COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-09-29 | — | — | US | disclosed |