⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1506052 | 0.76 | GRIN2D (0.53) | — | |
| SCHEMBL9424082 | 0.76 | GRIN2D (0.53) | — | |
| SCHEMBL7153583 | 0.74 | — | — | |
| SCHEMBL11305395 | 0.74 | — | — | |
| SCHEMBL170266 | 0.74 | — | — | |
| SCHEMBL1627385 | 0.74 | — | — | |
| SCHEMBL11806809 | 0.72 | — | — | |
| SCHEMBL87611 | 0.72 | — | — | |
| SCHEMBL4556564 | 0.72 | — | — | |
| SCHEMBL9059334 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1234707-C | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIVERS (CN) | 2006-01-04 | — | — | CN | claimed |
| CN-1439641-A | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIV (CN) | 2003-09-03 | — | — | CN | claimed |
| US-RE34486-E | Compositions of inorganic-organic alloy with highly charged nitrogen content polymers and their manufacture | WALDMANN JOHN J | 1993-12-21 | — | — | US | claimed |
| US-4902779-A | WASTE WATER TREATMENT | MAXICHEM, INC., A CORP. OF NC | 1990-02-20 | — | — | US | claimed |
| CN-1234707-C | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIVERS (CN) | 2006-01-04 | — | — | CN | disclosed |
| CN-1439641-A | Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science | CHINESE PHARMACEUTICAL UNIV (CN) | 2003-09-03 | — | — | CN | disclosed |
| US-RE34486-E | Compositions of inorganic-organic alloy with highly charged nitrogen content polymers and their manufacture | WALDMANN JOHN J | 1993-12-21 | — | — | US | disclosed |
| US-4902779-A | WASTE WATER TREATMENT | MAXICHEM, INC., A CORP. OF NC | 1990-02-20 | — | — | US | disclosed |