⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22660992 | 0.76 | PIK3CD (0.32) | — | |
| SCHEMBL17394565 | 0.69 | — | — | |
| SCHEMBL13134328 | 0.69 | — | — | |
| SCHEMBL30559516 | 0.68 | NOS1 (0.36) | — | |
| SCHEMBL623172 | 0.67 | — | — | |
| SCHEMBL27627414 | 0.67 | — | — | |
| SCHEMBL4052104 | 0.66 | NNMT (0.48) | — | |
| SCHEMBL6959485 | 0.66 | — | — | |
| SCHEMBL29177447 | 0.65 | SIRT6 (0.52) | — | |
| Hydrochloric Acid SCHEMBL17204650 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009010784-A1 | NEW COMPOUNDS 955 | ASTRAZENECA AB (SE) | 2009-01-22 | — | — | WO | claimed |
| WO-2009010784-A1 | NEW COMPOUNDS 955 | ASTRAZENECA AB (SE) | 2009-01-22 | — | — | WO | disclosed |