⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4280364 | 0.91 | TSHR (0.56) | — | |
| SCHEMBL21568749 | 0.86 | MEN1 (0.40) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL6363293 | 0.85 | TSHR (0.67) | — | |
| SCHEMBL22165460 | 0.79 | — | — | |
| SCHEMBL22346735 | 0.77 | POLB (0.43) | — | |
| SCHEMBL10756079 | 0.76 | — | — | |
| SCHEMBL7856789 | 0.76 | — | — | |
| SCHEMBL9803632 | 0.75 | POLB (0.31) | — | |
| SCHEMBL28522549 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL31325977 | 0.74 | POLB (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891399-B1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | VE CO S R L (IT) | 1999-12-15 | — | — | EP | claimed |
| EP-0891399-A1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | Ve.Co S.R.L. (IT) | 1999-01-20 | — | — | EP | claimed |
| WO-1997038057-A1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | VE.CO S.R.L. (IT) | 1997-10-16 | — | — | WO | claimed |
| CN-101925554-A | Shrinkage reducing agent | CONSTR RES & TECH GMBH | 2010-12-22 | — | — | CN | disclosed |
| EP-0891399-B1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | VE CO S R L (IT) | 1999-12-15 | — | — | EP | disclosed |
| EP-0891399-A1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | Ve.Co S.R.L. (IT) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997038057-A1 | NEUTRAL REMOVERS OF PAINT FROM ESSENTIALLY METALLIC SURFACES | VE.CO S.R.L. (IT) | 1997-10-16 | — | — | WO | disclosed |
| US-4170482-A | Jet printing ink composition containing an acetylenic compound and a lactone | M & T CHEMICALS INC. (US) | 1979-10-09 | — | — | US | disclosed |