⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL11255448 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL207948 | 0.77 | — | — | |
| SCHEMBL13007295 | 0.77 | — | — | |
| SCHEMBL1232220 | 0.74 | — | — | |
| SCHEMBL8278786 | 0.73 | — | — | |
| SCHEMBL183798 | 0.72 | — | — | |
| SCHEMBL11006454 | 0.72 | — | — | |
| SCHEMBL18261761 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL395256 | 0.70 | MAPT (0.54) | — | |
| SCHEMBL6151574 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3037405-B1 | 3-ACYLOXYMETHYL-3-BUTENYL CARBOXYLATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2019-10-30 | — | — | EP | claimed |
| EP-3037404-B1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2018-08-29 | — | — | EP | claimed |
| US-6110957-A | ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES | SUGEN, INC. (US) | 2000-08-29 | — | — | US | disclosed |
| US-5786488-A | DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT | SUGEN, INC. (US) | 1998-07-28 | — | — | US | disclosed |