⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20849228 | 0.94 | PDPK1 (0.32) | — | |
| SCHEMBL22985642 | 0.91 | AR (0.33) | — | |
| SCHEMBL22985650 | 0.89 | PDPK1 (0.33) | — | |
| SCHEMBL20849191 | 0.89 | KIF11 (0.35) | — | |
| SCHEMBL22242993 | 0.88 | CYP2C9 (0.32) | — | |
| SCHEMBL22985154 | 0.88 | ALOX5AP (0.33) | — | |
| SCHEMBL20848730 | 0.87 | S1PR1 (0.33) | — | |
| SCHEMBL20849190 | 0.86 | KIF11 (0.33) | — | |
| SCHEMBL20848495 | 0.86 | PTGER4 (0.34) | — | |
| SCHEMBL22243046 | 0.86 | ABCG2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10978646-B2 | Organic molecules for use in optoelectronic devices | CYNORA GMBH (DE) | 2021-04-13 | — | — | US | disclosed |
| US-20190097141-A1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-03-28 | — | — | US | disclosed |