⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28971358 | 0.76 | TRPV1 (0.32) | — | |
| SCHEMBL21174927 | 0.74 | TRPA1 (0.40) | — | |
| SCHEMBL29257146 | 0.73 | — | — | |
| SCHEMBL31336840 | 0.73 | CA1 (0.42) | — | |
| SCHEMBL9515399 | 0.72 | CLK4 (0.44) | — | |
| SCHEMBL9511816 | 0.67 | NPC1 (0.51) | — | |
| SCHEMBL9511721 | 0.67 | NPC1 (0.45) | — | |
| SCHEMBL29120290 | 0.66 | MEN1 (0.33) | — | |
| SCHEMBL9511827 | 0.66 | CHRNA7 (0.38) | — | |
| SCHEMBL9514517 | 0.65 | RAB9A (0.49) | — |
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-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 |
| US-20230234951-A1 | CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2023-07-27 | — | — | US | disclosed |