⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9868411 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL12073 | 0.78 | — | — | |
| SCHEMBL4962965 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL10576805 | 0.75 | — | — | |
| SCHEMBL3506045 | 0.75 | — | — | |
| SCHEMBL427600 | 0.75 | — | — | |
| SCHEMBL2775806 | 0.73 | CYP2C19 (0.44) | — | |
| SCHEMBL6173593 | 0.73 | — | — | |
| SCHEMBL652869 | 0.73 | — | — | |
| SCHEMBL4363912 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763685-B1 | BACTERIUM FOR USE AS A PROBIOTIC FOR NUTRITIONAL AND MEDICAL APPLICATIONS | 4D PHARMA RES LTD (GB) | 2016-04-20 | — | — | EP | disclosed |
| CN-101535423-A | Highly conductive water-based inks | SUN CHEMICAL CORP (US) | 2009-09-16 | — | — | CN | disclosed |
| US-6232320-B1 | THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES | ABBOTT LABORATORIES | 2001-05-15 | — | — | US | disclosed |