⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9032401 | 0.83 | ACE (0.33) | — | |
| SCHEMBL9032393 | 0.83 | ACE (0.33) | — | |
| SCHEMBL9030883 | 0.83 | ACE (0.33) | — | |
| SCHEMBL9032621 | 0.83 | ACE (0.33) | — | |
| SCHEMBL9030932 | 0.83 | ACE (0.33) | — | |
| SCHEMBL9032355 | 0.78 | USP2 (0.30) | — | |
| SCHEMBL9032350 | 0.78 | USP2 (0.30) | — | |
| SCHEMBL9031835 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL9033639 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL9030781 | 0.70 | HRH3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0558287-B1 | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 1996-12-04 | — | — | EP | disclosed |
| US-5292767-A | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0558287-A1 | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1993-09-01 | — | — | EP | disclosed |