⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28655425 | 1.00 | — | — | |
| SCHEMBL10616236 | 0.86 | USP2 (0.55) | — | |
| SCHEMBL5606111 | 0.83 | FFAR4 (0.48) | — | |
| SCHEMBL5606115 | 0.83 | FFAR4 (0.48) | — | |
| SCHEMBL3909824 | 0.83 | USP2 (0.42) | — | |
| SCHEMBL10052022 | 0.81 | — | — | |
| SCHEMBL17231293 | 0.81 | — | — | |
| SCHEMBL19331620 | 0.81 | — | — | |
| SCHEMBL813851 | 0.80 | FDPS (0.31) | — | |
| SCHEMBL22249 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111116419-B | Treprostinil intermediate and preparation process thereof | 江苏豪森药业集团有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-113754623-A | Preparation method of treprostinil intermediate | 上海京河医药科技有限公司 | 2021-12-07 | — | — | CN | disclosed |
| EP-1971601-B1 | N4-PHENYL-QUINAZOLINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | ARRAY BIOPHARMA INC (US) | 2009-10-21 | — | — | EP | disclosed |