⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12713544 | 0.77 | — | — | |
| SCHEMBL21367376 | 0.70 | — | — | |
| SCHEMBL15070843 | 0.70 | HTR2A (0.36) | — | |
| SCHEMBL18368348 | 0.70 | DPP4 (0.37) | — | |
| SCHEMBL21100528 | 0.68 | CHRNA7 (0.32) | — | |
| SCHEMBL10286511 | 0.68 | KDM4E (0.38) | — | |
| SCHEMBL15070850 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL4371910 | 0.66 | — | — | |
| SCHEMBL15070845 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL1021274 | 0.66 | S100A4 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130165472-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165483-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |