⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18973953 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL18636564 | 0.77 | — | — | |
| SCHEMBL14904437 | 0.77 | — | — | |
| SCHEMBL3418516 | 0.77 | — | — | |
| SCHEMBL18617949 | 0.77 | — | — | |
| SCHEMBL2450923 | 0.76 | HTR2A (0.40) | — | |
| SCHEMBL20234597 | 0.75 | HTR2A (0.30) | — | |
| SCHEMBL2470715 | 0.73 | — | — | |
| SCHEMBL23352282 | 0.72 | EPHX1 (0.38) | — | |
| SCHEMBL24428495 | 0.72 | HTR2A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11718638-B2 | Compounds, compositions and methods for synthesis | WAVE LIFE SCIENCES LTD. (SG) | 2023-08-08 | — | — | US | disclosed |
| WO-2016112321-A1 | CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED | ALLERGAN, INC. (US) | 2016-07-14 | — | — | WO | disclosed |