⚠ 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 | |
|---|---|---|---|---|
| Thymine SCHEMBL17201833 | 1.00 | ATAD2 (1.00) | — | |
| Thymine SCHEMBL15323914 | 1.00 | ATAD2 (1.00) | — | |
| Thymine SCHEMBL5235 | 1.00 | — | — | |
| Thymine SCHEMBL750450 | 1.00 | ATAD2 (1.00) | — | |
| Thymine SCHEMBL935833 | 0.97 | ATAD2 (0.95) | — | |
| Thymine SCHEMBL2724033 | 0.97 | ATAD2 (0.95) | — | |
| Thymine SCHEMBL5176783 | 0.97 | ATAD2 (0.95) | — | |
| Thymine SCHEMBL31403209 | 0.97 | ATAD2 (0.95) | — | |
| Thymine SCHEMBL8649294 | 0.97 | ATAD2 (0.95) | — | |
| Thymine SCHEMBL4811815 | 0.97 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114740130-A | Quantitative spectrum chip for calibrating quantitative analysis of metabolome | 常州中科脂典生物技术有限责任公司 | 2022-07-12 | — | — | CN | claimed |
| CN-114740130-A | Quantitative spectrum chip for calibrating quantitative analysis of metabolome | 常州中科脂典生物技术有限责任公司 | 2022-07-12 | — | — | CN | disclosed |