⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22209264 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL424194 | 0.74 | — | — | |
| SCHEMBL657863 | 0.68 | — | — | |
| SCHEMBL13056028 | 0.67 | CA1 (0.50) | — | |
| SCHEMBL7443085 | 0.67 | — | — | |
| SCHEMBL423679 | 0.66 | — | — | |
| SCHEMBL2164794 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL553303 | 0.64 | TSHR (0.38) | — | |
| SCHEMBL430335 | 0.64 | CA1 (0.48) | — | |
| SCHEMBL424203 | 0.64 | CA2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5675011-A | 1-(3-PYRIDYLALKYL)-2-FORMYL-4-(4-(ACYLAMINO OR PHENYLSULFONYLAMINO) PYRROLIDINE OR SALT FORMED BY REDUCTION OF A 2-CARBOXY FUNCTIONALITY TO THE ALDEHYDE; THROMBOXANE A2 ANTAGONIST, SYNTHETASE INHIBITOR | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-10-07 | — | — | US | disclosed |
| US-5543525-A | DRUG FOR CARDIOVASCULAR DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |
| EP-0648743-A1 | PROCESS FOR PRODUCING PYRROLIDINE DERIVATIVE AND SALT THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-19 | — | — | EP | disclosed |