⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970110 | 0.76 | — | — | |
| SCHEMBL21089202 | 0.76 | — | — | |
| SCHEMBL2854946 | 0.76 | — | — | |
| SCHEMBL19936145 | 0.75 | HTT (0.47) | — | |
| SCHEMBL7340756 | 0.75 | ALDH1A1 (0.63) | — | |
| SCHEMBL7340751 | 0.75 | ALDH1A1 (0.63) | — | |
| Bromide SCHEMBL28645412 | 0.74 | — | — | |
| SCHEMBL28855042 | 0.72 | — | — | |
| SCHEMBL84740 | 0.72 | — | — | |
| SCHEMBL11591509 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2612857-B1 | CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE | SHENZHEN SALUBRIS PHARM CO LTD (CN) | 2017-07-26 | — | — | EP | disclosed |
| EP-2612857-A1 | CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE | Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) | 2013-07-10 | — | — | EP | disclosed |