⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538571 | 0.75 | — | — | |
| SCHEMBL2512414 | 0.75 | ACHE (0.38) | — | |
| SCHEMBL20128353 | 0.73 | GABRA1 (0.38) | — | |
| SCHEMBL9522211 | 0.73 | CA1 (0.44) | — | |
| SCHEMBL11314107 | 0.71 | — | — | |
| SCHEMBL2175556 | 0.71 | — | — | |
| SCHEMBL1665166 | 0.71 | — | — | |
| SCHEMBL20128349 | 0.71 | MAPK14 (0.31) | — | |
| SCHEMBL6136634 | 0.71 | — | — | |
| SCHEMBL11458543 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180127597-A1 | MOLD RESISTANT FORMABLE CORK | THE BOEING COMPANY (US) | 2018-05-10 | — | — | US | disclosed |
| WO-2003037311-A2 | METHOD FOR TREATING RETROVIRAL INFECTIONS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-0128249-B1 | ANTIMICROBIAL DISULFIDE PRODRUGS | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-03 | — | — | EP | disclosed |
| EP-0128249-A2 | Antimicrobial disulfide prodrugs | SMITHKLINE BECKMAN CORPORATION (US) | 1984-12-19 | — | — | EP | disclosed |
| US-4427582-A | Antimicrobial disulfide prodrugs | SMITHKLINE BECKMAN CORPORATION (US) | 1984-01-24 | — | — | US | disclosed |