⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31146654 | 0.75 | — | — | |
| Durohydroquinone SCHEMBL69786 | 0.69 | ALOX5 (0.38) | — | |
| SCHEMBL19972877 | 0.67 | BCL2 (0.33) | — | |
| SCHEMBL397768 | 0.65 | ALOX5 (0.36) | — | |
| SCHEMBL23943247 | 0.65 | LDHA (0.35) | — | |
| SCHEMBL19183569 | 0.65 | BCL2 (0.32) | — | |
| SCHEMBL14201680 | 0.65 | LDHA (0.35) | — | |
| SCHEMBL19667834 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL11420617 | 0.64 | TUBB4A (0.30) | — | |
| SCHEMBL14031709 | 0.64 | EGFR (0.34) | — |
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-6667317-B2 | NMDA receptor NR2B subunit antagonist and a neutrophil inhibiting factor; therapies that reduce or prevent neuronal dysfunction and death after ischemic, hypoxic or traumatic CNS insult | PFIZER INC | 2003-12-23 | — | — | US | disclosed |