⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3365758 | 0.72 | — | — | |
| SCHEMBL3363269 | 0.72 | — | — | |
| SCHEMBL11854352 | 0.69 | — | — | |
| SCHEMBL14625153 | 0.69 | — | — | |
| SCHEMBL12653115 | 0.67 | — | — | |
| SCHEMBL5530807 | 0.67 | — | — | |
| SCHEMBL19014757 | 0.67 | — | — | |
| SCHEMBL7874528 | 0.67 | — | — | |
| Chloroform SCHEMBL28128203 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11820308 | 0.65 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000015592-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA HYDROLYSIS OF 1,1-DICHLORO-3,3-DIMETHYLBUTANE OR 1-BROMO-1-CHLORO-3,3-DIMETHYLBUTANE | THE NUTRASWEET COMPANY (US) | 2000-03-23 | — | — | WO | claimed |
| US-5994593-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via hydrolysis of 1,1-dichloro-3,3-dimethylbutane or 1-bromo-1-chloro-3,3-dimethylbutane | THE NUTRASWEET COMPANY (US) | 1999-11-30 | — | — | US | claimed |
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | claimed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | claimed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | claimed |
| WO-2000015592-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA HYDROLYSIS OF 1,1-DICHLORO-3,3-DIMETHYLBUTANE OR 1-BROMO-1-CHLORO-3,3-DIMETHYLBUTANE | THE NUTRASWEET COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |
| WO-2000015592-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA HYDROLYSIS OF 1,1-DICHLORO-3,3-DIMETHYLBUTANE OR 1-BROMO-1-CHLORO-3,3-DIMETHYLBUTANE | THE NUTRASWEET COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |
| US-5994593-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via hydrolysis of 1,1-dichloro-3,3-dimethylbutane or 1-bromo-1-chloro-3,3-dimethylbutane | THE NUTRASWEET COMPANY (US) | 1999-11-30 | — | — | US | disclosed |
| US-5994593-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via hydrolysis of 1,1-dichloro-3,3-dimethylbutane or 1-bromo-1-chloro-3,3-dimethylbutane | THE NUTRASWEET COMPANY (US) | 1999-11-30 | — | — | US | disclosed |
| US-5994593-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via hydrolysis of 1,1-dichloro-3,3-dimethylbutane or 1-bromo-1-chloro-3,3-dimethylbutane | THE NUTRASWEET COMPANY (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0380052-B1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL CO (JP) | 1994-04-13 | — | — | EP | disclosed |
| US-5138109-A | Alkylation in presence of liquid catalyst containing aluminum chloride and alkylbenzene | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0380052-A1 | Process for preparing alkyl halogenides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-08-01 | — | — | EP | disclosed |