⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL27652519 | 0.95 | — | — | |
| Carbamic Acid SCHEMBL27878774 | 0.93 | — | — | |
| Methyl Carbamate SCHEMBL27688023 | 0.92 | ALOX15 (0.31) | — | |
| Carbamic Acid SCHEMBL28874673 | 0.92 | — | — | |
| Urethane SCHEMBL27403417 | 0.91 | ALOX15 (0.46) | — | |
| Bicarbonate SCHEMBL27742283 | 0.90 | — | — | |
| Acrylamide SCHEMBL27774675 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL27571842 | 0.89 | TDP1 (0.35) | — | |
| Methylamine SCHEMBL27970430 | 0.89 | — | — | |
| SCHEMBL5079337 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103242701-B | Recording material | 精工爱普生株式会社 | 2017-04-26 | — | — | CN | disclosed |