⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20698556 | 0.93 | TUBB4A (0.32) | — | |
| SCHEMBL22617978 | 0.92 | TUBB4A (0.30) | — | |
| SCHEMBL20698302 | 0.88 | TUBB4A (0.31) | — | |
| SCHEMBL17692377 | 0.86 | PDK2 (0.31) | — | |
| SCHEMBL20698304 | 0.86 | TUBB4A (0.31) | — | |
| SCHEMBL20698530 | 0.84 | TUBB4A (0.32) | — | |
| SCHEMBL20698516 | 0.81 | AKR1C3 (0.32) | — | |
| SCHEMBL22617937 | 0.81 | TUBB4A (0.31) | — | |
| SCHEMBL22617923 | 0.80 | — | — | |
| SCHEMBL19061505 | 0.80 | TUBB4A (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 |
|---|---|---|---|---|---|---|---|
| US-10826000-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2020-11-03 | — | — | US | disclosed |