⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27576218 | 0.71 | EGFR (0.49) | — | |
| SCHEMBL27706710 | 0.71 | EGFR (0.49) | — | |
| Pki-166 SCHEMBL173524 | 0.65 | EGFR (0.50) | — | |
| SCHEMBL23827644 | 0.65 | NUDT1 (0.44) | — | |
| SCHEMBL29133723 | 0.64 | MAP4K4 (0.39) | — | |
| SCHEMBL20474796 | 0.63 | EGFR (0.41) | — | |
| SCHEMBL29705415 | 0.63 | KIT (0.36) | — | |
| SCHEMBL28751210 | 0.62 | EGFR (0.40) | — | |
| SCHEMBL7024592 | 0.60 | — | — | |
| SCHEMBL7018554 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102326083-A | Methods for inhibiting neurodegeneration | GENENTECH INC | 2012-01-18 | — | — | CN | disclosed |
| CN-101223448-A | Pretreatment of a biological sample from an autoimmune disease subject | GENENTECH INC (US) | 2008-07-16 | — | — | CN | disclosed |