⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24565101 | 0.77 | — | — | |
| SCHEMBL26205317 | 0.74 | — | — | |
| SCHEMBL26204891 | 0.63 | TSHR (0.42) | — | |
| SCHEMBL24565102 | 0.63 | PLK1 (0.31) | — | |
| SCHEMBL3707107 | 0.55 | — | — | |
| SCHEMBL2365680 | 0.55 | — | — | |
| SCHEMBL7856997 | 0.54 | — | — | |
| SCHEMBL16095021 | 0.53 | — | — | |
| SCHEMBL23647812 | 0.53 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL5495092 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023163299-A1 | CORE-SHELL DYE, NEAR-INFRARED-ABSORPTIVE RESIN COMPOSITION INCLUDING SAME, AND NEAR-INFRARED ABSORPTION FILM | 삼성에스디아이 주식회사 | 2023-08-31 | — | — | WO | disclosed |