⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28453747 | 0.82 | F12 (0.43) | — | |
| SCHEMBL28387436 | 0.82 | OPRL1 (0.32) | — | |
| SCHEMBL27821224 | 0.82 | — | — | |
| SCHEMBL27576211 | 0.77 | ATM (0.31) | — | |
| SCHEMBL28460793 | 0.72 | F12 (0.40) | — | |
| SCHEMBL27668937 | 0.69 | F12 (0.36) | — | |
| SCHEMBL28897996 | 0.65 | F12 (0.39) | — | |
| SCHEMBL28451565 | 0.65 | F12 (0.39) | — | |
| SCHEMBL28451564 | 0.65 | F12 (0.39) | — | |
| SCHEMBL22685450 | 0.63 | HTR2C (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1384835-A | Tricycle inhibitors of poly(ADP-ribose) polymerases | AGOURON PHARMA (US) | 2002-12-11 | — | — | CN | disclosed |