⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11371451 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL7759366 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL11253304 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL27386312 | 0.80 | — | — | |
| SCHEMBL26556808 | 0.80 | — | — | |
| SCHEMBL11247629 | 0.77 | JAK2 (0.30) | — | |
| SCHEMBL11238388 | 0.77 | — | — | |
| SCHEMBL11250288 | 0.77 | — | — | |
| SCHEMBL24837576 | 0.75 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL18693002 | 0.75 | POLB (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001900-B1 | 9-THIA-12-AZAPROSTANOIC ACID DERIVATIVES AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1982-04-07 | — | — | EP | disclosed |
| US-4260771-A | VASODILATORS, ANTICOAGULANTS, IMMUNOLOGY | MERCK & CO., INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4225609-A | Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids | MERCK & CO., INC. (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0001900-A1 | 9-Thia-12-azaprostanoic acid derivatives and compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | disclosed |