⚠ 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 | |
|---|---|---|---|---|
| 2-Thiophenenecarboxaldehyde SCHEMBL8840818 | 0.97 | SMN1; SMN2 (0.54) | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31206 | 0.97 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL29260838 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31005004 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL27722051 | 0.95 | SMN1; SMN2 (0.52) | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31458522 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL30885368 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL11188175 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL4219822 | 0.95 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL29033406 | 0.92 | — | — |
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-117919443-A | Covalent organic framework combining diagnosis of hypoxia-activated therapy and self-accelerating drug release to coordinate cancer immunotherapy | 长春工业大学 | 2024-04-26 | — | — | CN | claimed |
| CN-117919443-A | Covalent organic framework combining diagnosis of hypoxia-activated therapy and self-accelerating drug release to coordinate cancer immunotherapy | 长春工业大学 | 2024-04-26 | — | — | CN | disclosed |