⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12159646 | 0.67 | — | — | |
| SCHEMBL16470963 | 0.64 | — | — | |
| SCHEMBL9624823 | 0.63 | — | — | |
| SCHEMBL4429690 | 0.63 | — | — | |
| SCHEMBL2501814 | 0.61 | — | — | |
| SCHEMBL7538040 | 0.61 | CYP19A1 (0.31) | — | |
| SCHEMBL6274383 | 0.60 | — | — | |
| SCHEMBL13370025 | 0.60 | — | — | |
| SCHEMBL17451017 | 0.60 | — | — | |
| SCHEMBL208133 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3098873-A1 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2016-11-30 | — | — | EP | disclosed |
| WO-2003000272-A1 | MEDICAMENTS CONTAINING TETRAHYDROISOQUINOLINE DERIVATIVES | INSTITUT FUER PFLANZENBIOCHEMIE-IPB (DE) | 2003-01-03 | — | — | WO | disclosed |