⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17246589 | 0.84 | MAPK1 (0.39) | — | |
| SCHEMBL17246645 | 0.82 | ALOX5 (0.32) | — | |
| SCHEMBL17246596 | 0.81 | MAPK1 (0.39) | — | |
| SCHEMBL21755356 | 0.77 | PTGER4 (0.35) | — | |
| SCHEMBL20698110 | 0.77 | PTGER4 (0.32) | — | |
| SCHEMBL17228922 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL15127002 | 0.76 | CYP1A1 (0.35) | — | |
| SCHEMBL19287646 | 0.76 | SIRT2 (0.31) | — | |
| SCHEMBL17246618 | 0.75 | CYP1A1 (0.36) | — | |
| SCHEMBL21755370 | 0.75 | S1PR4 (0.31) | — |
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-10020459-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-07-10 | — | — | US | disclosed |
| US-9748510-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-08-29 | — | — | US | disclosed |