⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2273232 | 0.82 | BACE1 (0.35) | — | |
| SCHEMBL29942154 | 0.82 | BACE1 (0.35) | — | |
| SCHEMBL28731844 | 0.74 | HSD17B1 (0.35) | — | |
| Benzoic Acid SCHEMBL29120393 | 0.69 | DAO (0.42) | — | |
| SCHEMBL5355939 | 0.64 | — | — | |
| SCHEMBL28006769 | 0.62 | — | — | |
| Benzene SCHEMBL487381 | 0.62 | — | — | |
| Benzene SCHEMBL28097781 | 0.62 | — | — | |
| Ethylene SCHEMBL16323503 | 0.62 | — | — | |
| Benzene SCHEMBL28126191 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114163450-B | Thermochromic material with single rhodamine structure, developing composition, preparation method and application thereof | 北京高德品创科技有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-114163450-A | Thermochromic material with single rhodamine structure, developing composition, preparation method and application thereof | 北京高德品创科技有限公司 | 2022-03-11 | — | — | CN | disclosed |