⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27943232 | 0.84 | — | — | |
| SCHEMBL16268695 | 0.79 | — | — | |
| SCHEMBL17686810 | 0.79 | — | — | |
| SCHEMBL589034 | 0.77 | — | — | |
| SCHEMBL1173840 | 0.73 | — | — | |
| SCHEMBL28705512 | 0.73 | — | — | |
| SCHEMBL30203023 | 0.73 | — | — | |
| SCHEMBL27870398 | 0.73 | GABRP (0.45) | — | |
| SCHEMBL789474 | 0.73 | — | — | |
| SCHEMBL11425936 | 0.71 | — | — |
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-105111214-B | A kind of preparation method of pemetrexed disodium | 江西农业大学 | 2017-10-31 | — | — | CN | disclosed |
| CN-105111214-A | Preparation method of pemetrexed disodium | UNIV JIANGXI AGRICULTURAL | 2015-12-02 | — | — | CN | disclosed |
| CN-102827246-B | Large cyclic heterocyclic compound for inhibiting hepatitis C virus as well as preparation and application thereof | AIBO NEW MEDICATION RES & DEV SHANGHAI CO LTD | 2014-04-02 | — | — | CN | disclosed |
| CN-102827246-A | Large cyclic heterocyclic compound for inhibiting hepatitis C virus as well as preparation and application thereof | AIBO NEW MEDICATION RES & DEV SHANGHAI CO LTD | 2012-12-19 | — | — | CN | disclosed |