⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4827227 | 1.00 | — | — | |
| SCHEMBL14677705 | 0.97 | — | — | |
| SCHEMBL180662 | 0.89 | — | — | |
| SCHEMBL21693854 | 0.86 | — | — | |
| SCHEMBL29216811 | 0.86 | — | — | |
| SCHEMBL9323172 | 0.77 | — | — | |
| SCHEMBL7789575 | 0.76 | — | — | |
| SCHEMBL20636855 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL17991922 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL2367729 | 0.76 | TSHR (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007019478-A2 | DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2007-02-15 | — | — | WO | disclosed |