⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL9814379 | 1.00 | — | — | |
| Butadiene SCHEMBL11707934 | 0.80 | — | — | |
| Butadiene SCHEMBL10968233 | 0.80 | — | — | |
| Butadiene SCHEMBL628153 | 0.80 | — | — | |
| Butadiene SCHEMBL10457929 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.79 | — | — | |
| Butadiene SCHEMBL11854764 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.79 | — | — | |
| Acrylonitrile SCHEMBL29072116 | 0.78 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109294512-B | High-transferability UV (ultraviolet) photocuring adhesive and preparation method and application thereof | 江苏卫星新材料股份有限公司 | 2021-08-27 | — | — | CN | disclosed |
| WO-2020264581-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | Boragen, Inc. (US) | 2020-12-30 | — | — | WO | disclosed |