Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL27634100 | 0.95 | TSHR (0.91) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| SCHEMBL15760 | 0.95 | — | — | |
| SCHEMBL9466751 | 0.95 | — | — | |
| SCHEMBL5470583 | 0.95 | — | — | |
| SCHEMBL7185714 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| SCHEMBL1235699 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| SCHEMBL892491 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| Methane SCHEMBL21143001 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| SCHEMBL1461668 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK | |
| SCHEMBL3291107 | 0.93 | TSHR (0.95) | TSHRSMN1; SMN2ALDH1A1CYP3A4CTSK |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0599883-B1 | CONTINUOUS PROCESS FOR THE PREPARATION OF 2-ETHYL-2-(HYDROXYMETHYL)HEXANAL AND 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL | EASTMAN CHEM CO (US) | 1996-09-18 | — | — | EP | disclosed |
| EP-0599883-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF 2-ETHYL-2-(HYDROXYMETHYL)HEXANAL AND 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL. | EASTMAN KODAK CO (US) | 1994-06-08 | — | — | EP | disclosed |
| US-5235118-A | Reacting 2-ethylhexanal with formaldehyde in presence of tertiary amine catalyst | EASTMAN KODAK COMPANY (US) | 1993-08-10 | — | — | US | disclosed |
| WO-1993002035-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF 2-ETHYL-2-(HYDROXYMETHYL)HEXANAL AND 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |
| US-5177267-A | Distillation | EASTMAN KODAK COMPANY (US) | 1993-01-05 | — | — | US | disclosed |
| US-5146004-A | Reaction of ethyl hexanal, aqueous formaldehyde in presence of tertiapy amine, hydrogenation | EASTMAN KODAK COMPANY (US) | 1992-09-08 | — | — | US | disclosed |