⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19055214 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL23714452 | 0.87 | — | — | |
| SCHEMBL20245396 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL15494564 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL12955710 | 0.82 | CHKA (0.33) | — | |
| SCHEMBL27594568 | 0.81 | SLC6A4 (0.30) | — | |
| SCHEMBL24682758 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL24734601 | 0.81 | — | — | |
| SCHEMBL20245089 | 0.81 | — | — | |
| SCHEMBL22892663 | 0.80 | MTNR1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3772517-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND DIAGNOSTIC COMPOSITION INCLUDING SAME | Samsung Electronics Co., Ltd. (KR) | 2021-02-10 | — | — | EP | disclosed |