⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3692897 | 0.77 | — | — | |
| SCHEMBL13636130 | 0.71 | CA5A (0.31) | — | |
| SCHEMBL17480197 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL10538233 | 0.70 | — | — | |
| SCHEMBL8466945 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL657864 | 0.69 | — | — | |
| SCHEMBL8994482 | 0.69 | — | — | |
| SCHEMBL9856785 | 0.69 | CD81 (0.31) | — | |
| SCHEMBL1070050 | 0.67 | — | — | |
| SCHEMBL4433113 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0756633-B1 | METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA | INTEGRATED RES TECHNOLOGY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| US-5658749-A | DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION | CORNING CLINICAL LABORATORIES, INC. (US) | 1997-08-19 | — | — | US | disclosed |