⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193935 | 0.71 | GPR3 (0.37) | — | |
| SCHEMBL8588798 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL5373174 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL405536 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL10813815 | 0.67 | — | — | |
| SCHEMBL9581979 | 0.67 | — | — | |
| SCHEMBL2268788 | 0.67 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL8871120 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL6220040 | 0.64 | GPR3 (0.31) | — | |
| SCHEMBL694560 | 0.64 | TNF (0.44) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4870087-A | Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-26 | — | — | US | claimed |
| US-4617309-A | Sulfur-containing indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-10-14 | — | — | US | claimed |
| US-4870087-A | Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-26 | — | — | US | disclosed |
| EP-0121716-B1 | INDOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 1987-12-09 | — | — | EP | disclosed |
| US-4617309-A | Sulfur-containing indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-10-14 | — | — | US | disclosed |
| EP-0105397-B1 | SULPHURIC INDOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 1986-07-16 | — | — | EP | disclosed |
| EP-0121716-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1984-10-17 | — | — | EP | disclosed |
| EP-0114603-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1984-08-01 | — | — | EP | disclosed |
| EP-0105397-A1 | Sulphuric indole derivatives | MERCK PATENT GmbH (DE) | 1984-04-18 | — | — | EP | disclosed |