⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9146115 | 0.81 | HTR1A (0.30) | — | |
| SCHEMBL9146672 | 0.78 | — | — | |
| SCHEMBL2824173 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL9145109 | 0.76 | — | — | |
| SCHEMBL9146008 | 0.73 | — | — | |
| SCHEMBL19451978 | 0.71 | THRA (0.33) | — | |
| SCHEMBL9149989 | 0.71 | — | — | |
| SCHEMBL9152379 | 0.70 | — | — | |
| SCHEMBL9152541 | 0.69 | NPY1R (0.32) | — | |
| SCHEMBL10339339 | 0.69 | HRH1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420310-A | Anticoagulants, antiulcer, antiatherosclerosis agents formed in multistage reaction | TORAY INDUSTRIES, INC. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0463162-B1 | PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES | TORAY INDUSTRIES (JP) | 1994-05-11 | — | — | EP | disclosed |
| US-5202447-A | Stereospecific | TORAY INDUSTRIES, INC. (JP) | 1993-04-13 | — | — | US | disclosed |
| EP-0463162-A1 | PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES | TORAY INDUSTRIES, INC. (JP) | 1992-01-02 | — | — | EP | disclosed |