⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627191 | 0.91 | RAB9A (0.35) | — | |
| SCHEMBL7302610 | 0.74 | CLK4 (0.44) | — | |
| SCHEMBL629944 | 0.71 | HSD11B1 (0.43) | — | |
| SCHEMBL7444756 | 0.71 | FYN (0.39) | — | |
| SCHEMBL7303598 | 0.69 | CA12 (0.35) | — | |
| SCHEMBL7296783 | 0.68 | DDB1 (0.37) | — | |
| SCHEMBL6964330 | 0.68 | SLK (0.42) | — | |
| SCHEMBL7330474 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL8055478 | 0.66 | CRBN (0.30) | — | |
| SCHEMBL29684947 | 0.64 | CYP19A1 (0.50) | — |
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-8080549-B2 | Endothelin receptor antagonists | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20100063076-A1 | Endothelin receptor antagonists | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2010-03-11 | — | — | US | disclosed |
| US-20080242687-A1 | SUBSTITUTED PYRIMIDINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-10-02 | — | — | US | disclosed |