⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6800088 | 1.00 | — | — | |
| SCHEMBL6531919 | 1.00 | — | — | |
| SCHEMBL19407944 | 0.81 | HIF1A (0.36) | — | |
| SCHEMBL1132940 | 0.79 | — | — | |
| SCHEMBL4308213 | 0.79 | — | — | |
| SCHEMBL16165636 | 0.78 | SLC6A3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL27857854 | 0.77 | — | — | |
| SCHEMBL21090095 | 0.75 | HIF1A (0.38) | — | |
| SCHEMBL21022704 | 0.75 | — | — | |
| SCHEMBL2500151 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918940-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | claimed |
| US-9555039-B2 | Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) | FORMA TM, LLC. (US) | 2017-01-31 | — | — | US | disclosed |
| CN-104918940-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | disclosed |
| WO-2012166665-A2 | BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | WO | disclosed |
| WO-2005099705-A2 | PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-10-27 | — | — | WO | disclosed |