⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2143509 | 0.82 | CYP2C19 (0.46) | — | |
| SCHEMBL19772597 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL27395450 | 0.78 | CA12 (0.43) | — | |
| SCHEMBL24372022 | 0.76 | CYP2C19 (0.35) | — | |
| SCHEMBL19621262 | 0.76 | TDP1 (0.30) | — | |
| SCHEMBL23604901 | 0.76 | — | — | |
| SCHEMBL29313019 | 0.76 | — | — | |
| SCHEMBL19941520 | 0.74 | — | — | |
| SCHEMBL22305058 | 0.74 | — | — | |
| SCHEMBL26736812 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1768966-B1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2012-03-07 | — | — | EP | disclosed |