Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL437402 | 0.69 | — | — | |
| SCHEMBL1305484 | 0.69 | KMT2A (0.33) | KMT2AALOX15 | |
| SCHEMBL8388178 | 0.67 | KMT2A (0.36) | TSHRKMT2AALOX15 | |
| SCHEMBL9633370 | 0.67 | — | — | |
| SCHEMBL16032842 | 0.65 | TSHR (0.37) | TSHRKMT2AALOX15 | |
| SCHEMBL21410376 | 0.65 | — | — | |
| SCHEMBL21410377 | 0.65 | — | — | |
| SCHEMBL17164954 | 0.65 | TSHR (0.37) | TSHRKMT2AALOX15 | |
| SCHEMBL14759437 | 0.63 | KMT2A (0.35) | TSHRKMT2AALOX15 | |
| SCHEMBL11283184 | 0.63 | TSHR (0.36) | TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592017-A | METHOD FOR PRODUCING 2-ISOPROPYLIDENE-5-METHYL-4-HEXENYL BUTYRATE | SHINETSU CHEMICAL CO | 2015-05-06 | — | — | CN | claimed |
| CN-104592017-B | The method for preparing 2- isopropylidene -5- methyl -4- hexenyl butyrate | 信越化学工业株式会社 | 2019-02-22 | — | — | CN | disclosed |
| CN-104592017-B | The method for preparing 2- isopropylidene -5- methyl -4- hexenyl butyrate | 信越化学工业株式会社 | 2019-02-22 | — | — | CN | disclosed |
| 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 |