⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9751877 | 0.74 | — | — | |
| SCHEMBL15777593 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL5831274 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL11119104 | 0.57 | — | — | |
| SCHEMBL3856071 | 0.57 | NPSR1 (0.30) | — | |
| SCHEMBL456737 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL17961910 | 0.55 | — | — | |
| SCHEMBL9522589 | 0.53 | ALDH1A1 (0.32) | — | |
| SCHEMBL7776633 | 0.53 | — | — | |
| SCHEMBL10520401 | 0.51 | GABRA1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091498-A | Alkali resistant coatings | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-02-25 | — | — | US | claimed |
| EP-0411927-A1 | Coating compositions containing 1,3-dialkylimidazole-2-thione catalysts | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-02-06 | — | — | EP | claimed |
| EP-0545218-B1 | Complexing agent for displacement tin plating | ROHCO INC MCGEAN (US) | 1997-04-09 | — | — | EP | disclosed |
| EP-0545218-A2 | Complexing agent for displacement tin plating | MCGEAN-ROHCO, INC. (US) | 1993-06-09 | — | — | EP | disclosed |
| EP-0545218-A2 | Complexing agent for displacement tin plating | MCGEAN-ROHCO, INC. (US) | 1993-06-09 | — | — | EP | disclosed |
| US-5196053-A | An imidazole-2-thione, copper coated printed circuits | MCGEAN-ROHCO, INC. (US) | 1993-03-23 | — | — | US | disclosed |