⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3710058 | 0.70 | GRIN3B (0.33) | — | |
| SCHEMBL17454949 | 0.62 | — | — | |
| SCHEMBL3565107 | 0.61 | STK17B (0.38) | — | |
| SCHEMBL6002954 | 0.60 | IKBKB (0.54) | — | |
| SCHEMBL5242158 | 0.59 | — | — | |
| SCHEMBL198179 | 0.57 | GRIN3B (0.38) | — | |
| SCHEMBL199636 | 0.57 | DAO (0.46) | — | |
| SCHEMBL29998454 | 0.57 | DAO (0.46) | — | |
| SCHEMBL10288661 | 0.57 | USP7 (0.42) | — | |
| SCHEMBL198645 | 0.57 | DAO (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100249145-A1 | Inhibitors of VEGF Receptor and HGF Receptor Signaling | METHYLGENE, INC. | 2010-09-30 | — | — | US | disclosed |