⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28333014 | 0.88 | TSHR (0.33) | — | |
| SCHEMBL16970246 | 0.80 | — | — | |
| SCHEMBL204395 | 0.79 | — | — | |
| SCHEMBL8142860 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL11147713 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL300510 | 0.72 | — | — | |
| SCHEMBL1087043 | 0.72 | — | — | |
| SCHEMBL6690129 | 0.71 | TP53 (0.45) | — | |
| Methyl Alcohol SCHEMBL10413201 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL8765540 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101962327-A | Novel synthesis process of 4- (N, N-dimethylamino) -butyraldehyde dimethyl acetal | WISDOM PHARMACEUTICAL CO LTD | 2011-02-02 | — | — | CN | disclosed |
| US-4814360-A | TEAR AND TENSILE STRENGTH, ELONGATION | BASF CORPORATION (US) | 1989-03-21 | — | — | US | disclosed |
| EP-0116310-B1 | HALOGENATED PHENOLIC POLYOLS AND RIGID CELLULAR COMPOSITIONS MADE THEREFROM | BASF Corporation (US) | 1987-03-25 | — | — | EP | disclosed |
| EP-0125592-B1 | UTILISATION OF TRI- AND TETRACHLOROBUTANOL DERIVATIVES AS LUBRICANT ADDITIVES, AND A LUBRICANT CONTAINING THE SAME | BASF Aktiengesellschaft (DE) | 1986-07-23 | — | — | EP | disclosed |
| US-4555530-A | CATALYTIC REACTION OF RESOLE POLYOLS AND HALOGEN CONTAINING HYDROXYL COMPONENT-GIVE POLYURETHANES WHEN REACTED WITH DIISOCYANATES | BASF WYANDOTTE CORPORATION (US) | 1985-11-26 | — | — | US | disclosed |
| EP-0125592-A1 | Utilisation of tri- and tetrachlorobutanol derivatives as lubricant additives, and a lubricant containing the same | BASF Aktiengesellschaft (DE) | 1984-11-21 | — | — | EP | disclosed |
| EP-0116310-A1 | Halogenated phenolic polyols and rigid cellular compositions made therefrom | BASF Corporation (US) | 1984-08-22 | — | — | EP | disclosed |
| US-4448952-A | POLYURETHANE FOAMS | BASF WYANDOTTE CORPORATION (US) | 1984-05-15 | — | — | US | disclosed |
| US-3968170-A | REDUCE BURNING RATE OF POLYURETHANE FOAMS | OLIN CORPORATION (US) | 1976-07-06 | — | — | US | disclosed |