⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27914524 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL226836 | 0.79 | — | — | |
| SCHEMBL11314685 | 0.77 | — | — | |
| SCHEMBL28087192 | 0.75 | PTPN1 (0.40) | — | |
| SCHEMBL8846964 | 0.75 | — | — | |
| SCHEMBL28107586 | 0.75 | — | — | |
| SCHEMBL825275 | 0.75 | MAOB (0.34) | — | |
| SCHEMBL27841889 | 0.72 | FGFR1 (0.41) | — | |
| SCHEMBL455574 | 0.72 | FGFR1 (0.35) | — | |
| SCHEMBL28169474 | 0.72 | KDM4E (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105597098-B | A kind of bonded gold nanorods compound of Herceptin, preparation method and the application in HER2 positive breast cancer diagnosis and treatment | 哈尔滨医科大学 | 2019-05-31 | — | — | CN | claimed |
| CN-105597098-A | Trastuzumab bond-linking gold nanorod compound, preparation method and application thereof in diagnosis and treatment of HER2 positive breast cancer | UNIV HARBIN MEDICAL | 2016-05-25 | — | — | CN | claimed |
| CN-105597098-B | A kind of bonded gold nanorods compound of Herceptin, preparation method and the application in HER2 positive breast cancer diagnosis and treatment | 哈尔滨医科大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-105597098-A | Trastuzumab bond-linking gold nanorod compound, preparation method and application thereof in diagnosis and treatment of HER2 positive breast cancer | UNIV HARBIN MEDICAL | 2016-05-25 | — | — | CN | disclosed |