⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10077971 | 0.80 | TLR4 (0.33) | — | |
| SCHEMBL25467405 | 0.69 | CRBN (0.30) | — | |
| SCHEMBL8398217 | 0.69 | KDM1A (0.35) | — | |
| SCHEMBL5410408 | 0.68 | — | — | |
| SCHEMBL12868802 | 0.67 | — | — | |
| SCHEMBL4717619 | 0.67 | — | — | |
| SCHEMBL4717617 | 0.67 | — | — | |
| SCHEMBL25467406 | 0.67 | TLR4 (0.32) | — | |
| SCHEMBL840074 | 0.65 | LMNA (0.41) | — | |
| SCHEMBL2956440 | 0.64 | MAP3K14 (0.44) | — |
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-8575166-B2 | Phthalazine-containing antidiabetic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20120004234-A1 | PHTHALAZINE-CONTAINING ANTIDIABETIC COMPOUNDS | SCHERING CORPORATION (US) | 2012-01-05 | — | — | US | disclosed |