⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10744086 | 0.84 | — | — | |
| SCHEMBL19919532 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL5180765 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL10391132 | 0.69 | NPC1 (0.38) | — | |
| SCHEMBL23957896 | 0.67 | CYP2A6 (0.42) | — | |
| SCHEMBL11261432 | 0.67 | ALOX15 (0.48) | — | |
| SCHEMBL9786580 | 0.67 | ADORA2A (0.36) | — | |
| SCHEMBL7648904 | 0.67 | APP (0.35) | — | |
| SCHEMBL3372808 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL5180769 | 0.65 | ALDH1A1 (0.33) | — |
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-4631143-A | Triphenylene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-12-23 | — | — | US | disclosed |