⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25955027 | 0.79 | APLNR (0.32) | — | |
| SCHEMBL28208182 | 0.78 | — | — | |
| SCHEMBL16030624 | 0.77 | — | — | |
| SCHEMBL27718712 | 0.72 | — | — | |
| SCHEMBL598117 | 0.71 | — | — | |
| SCHEMBL1781938 | 0.70 | — | — | |
| SCHEMBL22724767 | 0.70 | — | — | |
| SCHEMBL18105978 | 0.69 | — | — | |
| SCHEMBL21414095 | 0.69 | — | — | |
| SCHEMBL8821825 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104558005-A | Method for microwave synthesis of second-order nonlinear optical chromophore with D-pi-A structure | CHINESE ACAD TECH INST PHYSICS | 2015-04-29 | — | — | CN | claimed |
| CN-104558004-A | Organic second-order nonlinear optical chromophore with D-pi-A structure and synthesis method and application thereof | CHINESE ACAD TECH INST PHYSICS | 2015-04-29 | — | — | CN | claimed |
| CN-105724419-A | Pesticide for preventing and controlling brontispa longissima gestro | 烟台顺隆化工科技有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-104558005-A | Method for microwave synthesis of second-order nonlinear optical chromophore with D-pi-A structure | CHINESE ACAD TECH INST PHYSICS | 2015-04-29 | — | — | CN | disclosed |
| CN-104558004-A | Organic second-order nonlinear optical chromophore with D-pi-A structure and synthesis method and application thereof | CHINESE ACAD TECH INST PHYSICS | 2015-04-29 | — | — | CN | disclosed |