⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29120279 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL25312903 | 0.73 | — | — | |
| SCHEMBL31336840 | 0.69 | CA1 (0.42) | — | |
| SCHEMBL9747409 | 0.66 | ESR2 (0.39) | — | |
| SCHEMBL1020292 | 0.66 | — | — | |
| SCHEMBL7798852 | 0.64 | KMT2A (0.43) | — | |
| SCHEMBL4926023 | 0.64 | FYN (0.33) | — | |
| SCHEMBL9745977 | 0.61 | KMT2A (0.53) | — | |
| SCHEMBL111678 | 0.61 | GRM5 (0.33) | — | |
| SCHEMBL21052311 | 0.59 | KDM4E (0.53) | — |
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-118355004-A | Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives | 勃林格殷格翰动物保健有限公司 | 2024-07-16 | — | — | CN | disclosed |