⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10193228 | 0.84 | HSP90AA1 (0.33) | — | |
| SCHEMBL7713979 | 0.84 | HSP90AA1 (0.33) | — | |
| SCHEMBL515783 | 0.79 | ABL1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL17019859 | 0.78 | HSP90AA1 (0.32) | — | |
| SCHEMBL18683880 | 0.77 | SORD (0.39) | — | |
| SCHEMBL516214 | 0.77 | SORD (0.39) | — | |
| SCHEMBL194785 | 0.75 | PANK3 (0.38) | — | |
| SCHEMBL7709089 | 0.75 | PANK3 (0.38) | — | |
| SCHEMBL10266618 | 0.75 | AXL (0.30) | — | |
| SCHEMBL7715595 | 0.74 | CCNA2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028932-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | claimed |
| US-20120028932-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-02 | — | — | US | disclosed |