Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10973912 | 0.83 | TSHR (0.34) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL1764670 | 0.77 | TSHR (0.56) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL10972079 | 0.75 | TSHR (0.34) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL11550172 | 0.73 | ALDH1A1 (0.42) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL31433155 | 0.73 | ALDH1A1 (0.42) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL10969433 | 0.72 | TSHR (0.40) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL8156993 | 0.71 | CYP3A4 (0.60) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL17696934 | 0.70 | KIF11 (0.47) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL31490873 | 0.70 | CYP3A4 (0.37) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL31490900 | 0.70 | KIF11 (0.42) | TSHRCYP3A4MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0077853-B1 | NOVEL TRIFLUOROMETHYL BENZAL CHLORIDES AND PROCESS FOR THE PREPARATION THEREOF | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-03-13 | — | — | EP | disclosed |
| EP-0077853-A1 | Novel trifluoromethyl benzal chlorides and process for the preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-05-04 | — | — | EP | disclosed |
| US-4367348-A | Novel trifluoromethyl benzal chlorides and process for the preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-01-04 | — | — | US | disclosed |