Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 10/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8736160 | 0.83 | CES2 (0.66) | CES2FDPS | |
| SCHEMBL8466412 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL7619946 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL7623878 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL7617795 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL11197126 | 0.80 | ALDH1A1 (0.48) | CES2FDPSSMPD1GGPS1ALDH1A1 | |
| SCHEMBL658156 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL8464966 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL3284980 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR | |
| SCHEMBL249486 | 0.80 | SMPD1 (0.45) | CES2FDPSSMPD1ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177595-B1 | FLUORINATING IN A LIQUID PHASE A 1,1-DICHLORO-3-FLUORO-3,3-DICHLORO-, CHLORO/FLUORO-, OR DIFLUOROACETONE, PREFERABLY PENTACHLOROACETONE, BY HYDROGEN FLUORIDE USING A CATALYST OF TIN TETRAHALIDE; CORROSION RESISTANCE; EFFICIENCY | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-01-23 | — | — | US | disclosed |