⚠ 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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL29005324 | 0.90 | — | — | |
| Thiophene SCHEMBL29100408 | 0.89 | — | — | |
| Thiophene SCHEMBL29139560 | 0.86 | LTK (0.36) | — | |
| Thiophene SCHEMBL28483367 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2261252 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2262288 | 0.80 | — | — | |
| SCHEMBL29165451 | 0.75 | LTK (0.40) | — | |
| Pyrrole SCHEMBL1420278 | 0.74 | — | — | |
| Pyrrole SCHEMBL16612135 | 0.73 | — | — | |
| SCHEMBL10591353 | 0.67 | — | — |
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-111416040-B | Bipolar thin film transistor and preparation method thereof | 深圳大学 | 2023-11-14 | — | — | CN | claimed |