⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21565061 | 0.81 | HNF4A (0.33) | — | |
| SCHEMBL21565149 | 0.77 | AKR1B1 (0.33) | — | |
| SCHEMBL23406091 | 0.77 | HNF4A (0.35) | — | |
| SCHEMBL21565121 | 0.73 | GPR84 (0.34) | — | |
| SCHEMBL23448795 | 0.72 | DRD1 (0.33) | — | |
| SCHEMBL22203820 | 0.71 | ACHE (0.36) | — | |
| SCHEMBL23449022 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL24604233 | 0.68 | TTR (0.35) | — | |
| SCHEMBL24604231 | 0.67 | — | — | |
| SCHEMBL13712355 | 0.67 | S1PR1 (0.36) | — |
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-11530230-B2 | Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof | ZHEJIANG UNIVERSITY (CN) | 2022-12-20 | — | — | US | disclosed |
| US-20210163514-A1 | COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF | ZHEJIANG UNIVERSITY (CN) | 2021-06-03 | — | — | US | disclosed |