⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3437946 | 0.94 | CA1 (0.49) | — | |
| SCHEMBL15229446 | 0.84 | CA1 (0.39) | — | |
| SCHEMBL684715 | 0.83 | CA1 (0.41) | — | |
| SCHEMBL2730971 | 0.79 | NPC1 (0.44) | — | |
| SCHEMBL18516995 | 0.78 | — | — | |
| SCHEMBL16076191 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL8205330 | 0.76 | NPC1 (0.42) | — | |
| SCHEMBL25160054 | 0.75 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL15198303 | 0.75 | — | — | |
| SCHEMBL21006006 | 0.75 | — | — |
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-118852163-A | Macrocyclic compound containing heteroatoms, and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2024-10-29 | — | — | CN | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |