⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6535057 | 0.90 | GRM5 (0.30) | — | |
| SCHEMBL6889817 | 0.90 | GRM5 (0.30) | — | |
| SCHEMBL6889594 | 0.85 | GRM5 (0.33) | — | |
| SCHEMBL7269954 | 0.79 | — | — | |
| SCHEMBL8906766 | 0.79 | — | — | |
| SCHEMBL7260882 | 0.78 | — | — | |
| SCHEMBL6535088 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL7265567 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL8184066 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL5064820 | 0.74 | — | — |
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-6728129-B2 | Multistate triple-decker dyads in three distinct architectures for information storage applications | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-04-27 | — | — | US | disclosed |
| US-20030169618-A1 | Multistate triple-decker dyads in three distinct architectures for information storage applications | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER | 2003-09-11 | — | — | US | disclosed |