⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20077710 | 1.00 | — | — | |
| SCHEMBL9492556 | 1.00 | — | — | |
| SCHEMBL6553354 | 0.90 | CHRNB2 (0.36) | — | |
| SCHEMBL13810976 | 0.80 | — | — | |
| SCHEMBL19135533 | 0.80 | — | — | |
| SCHEMBL9180260 | 0.78 | APP (0.31) | — | |
| SCHEMBL9180267 | 0.78 | APP (0.31) | — | |
| SCHEMBL23917569 | 0.77 | CHRNB2 (0.31) | — | |
| SCHEMBL26552838 | 0.77 | — | — | |
| SCHEMBL12976503 | 0.77 | CASP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3130587-B1 | HYDROPHILIC POLYMER DERIVATIVE HAVING CYCLIC BENZYLIDENE ACETAL LINKER | NOF CORP (JP) | 2021-06-16 | — | — | EP | disclosed |
| WO-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |