⚠ 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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL28552621 | 0.88 | — | — | |
| Thiophene SCHEMBL28548873 | 0.86 | — | — | |
| SCHEMBL28164814 | 0.80 | — | — | |
| Thiophene SCHEMBL27547292 | 0.77 | — | — | |
| Thiophene SCHEMBL28548993 | 0.76 | — | — | |
| Thiophene SCHEMBL28565010 | 0.74 | ALDH1A1 (0.33) | — | |
| Benzene SCHEMBL27628427 | 0.74 | — | — | |
| Thiophene SCHEMBL28057118 | 0.72 | — | — | |
| Thiophene SCHEMBL27487316 | 0.72 | — | — | |
| Benzene SCHEMBL28140193 | 0.72 | — | — |
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-112707897-A | Thiophene allyl ethylene dicyan structure compound and preparation method thereof | 南京艾姆材料科技有限公司 | 2021-04-27 | — | — | CN | disclosed |