⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3040462 | 0.81 | — | — | |
| SCHEMBL3035035 | 0.76 | — | — | |
| SCHEMBL3034384 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL9060424 | 0.74 | — | — | |
| SCHEMBL3041226 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL3039793 | 0.72 | — | — | |
| SCHEMBL28070 | 0.70 | — | — | |
| SCHEMBL3369387 | 0.70 | — | — | |
| SCHEMBL11660569 | 0.69 | — | — | |
| SCHEMBL297420 | 0.69 | MMP8 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770780-B1 | QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS | JSR CORPORATION (JP) | 2004-08-03 | — | — | US | disclosed |
| EP-1231205-A1 | VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS | JSR Corporation (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-1995027725-A1 | 11β,19-BRIDGED 13α-ALKYL STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-10-19 | — | — | WO | disclosed |