⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL28231050 | 0.87 | — | — | |
| Tert-Butanol SCHEMBL29282187 | 0.87 | — | — | |
| SCHEMBL28263163 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL542866 | 0.78 | — | — | |
| SCHEMBL322454 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL8009262 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL6194876 | 0.76 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL1204871 | 0.76 | ALDH1A1 (0.61) | — | |
| Tert-Butanol SCHEMBL8169028 | 0.76 | — | — | |
| SCHEMBL2238110 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108676793-B | Gp5.5 protein-based purification method of total tRNA of escherichia coli | 华中科技大学 | 2020-07-10 | — | — | CN | claimed |
| CN-1259514-A | Improved technology of synthesizing tert-butyl amine using tert-butyl alcohol urea method | JI NAN XINZHONGZHI SCIENCE AND (CN) | 2000-07-12 | — | — | CN | claimed |
| CN-101348441-A | Intermediate raw material for producing medicament benemicin | XU LIU (CN) | 2009-01-21 | — | — | CN | disclosed |
| CN-100336795-C | Urea process of synthesizing tert-butyl amine with tert-butyl alcohol | WANG CHUANHUA (CN) | 2007-09-12 | — | — | CN | disclosed |
| CN-1380284-A | Synthesis process of tert-butyl amine and its formula | FENGXIANG FINE CHEMICAL CO LTD (CN) | 2002-11-20 | — | — | CN | disclosed |
| CN-1259514-A | Improved technology of synthesizing tert-butyl amine using tert-butyl alcohol urea method | JI NAN XINZHONGZHI SCIENCE AND (CN) | 2000-07-12 | — | — | CN | disclosed |
| CN-1259514-A | Improved technology of synthesizing tert-butyl amine using tert-butyl alcohol urea method | JI NAN XINZHONGZHI SCIENCE AND (CN) | 2000-07-12 | — | — | CN | disclosed |
| CN-1259514-A | Improved technology of synthesizing tert-butyl amine using tert-butyl alcohol urea method | JI NAN XINZHONGZHI SCIENCE AND (CN) | 2000-07-12 | — | — | CN | disclosed |