⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6941178 | 1.00 | — | — | |
| SCHEMBL6941808 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25367388 | 0.98 | NCF1 (0.43) | — | |
| SCHEMBL6444751 | 0.88 | NCF1 (0.52) | — | |
| SCHEMBL7547551 | 0.86 | KCNH2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11714067 | 0.86 | NCF1 (0.50) | — | |
| SCHEMBL6447459 | 0.85 | SLC6A2 (0.37) | — | |
| SCHEMBL28718 | 0.80 | — | — | |
| SCHEMBL29334755 | 0.80 | — | — | |
| SCHEMBL13479302 | 0.78 | — | — |
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-103387528-B | Resolution method of N-methyl-2(2-hydroxyethyl)pyrrolidine and application thereof | LIU HUAIZHEN | 2014-09-10 | — | — | CN | disclosed |
| CN-103387528-A | Resolution method of N-methyl-2(2-hydroxyethyl)pyrrolidine and application thereof | LIU HUAIZHEN | 2013-11-13 | — | — | CN | disclosed |
| US-6642231-B2 | Antineoplastic agents, treatment for neuronal injury and degeneration | AVENTIS PHARMACEUTICALS INC. | 2003-11-04 | — | — | US | disclosed |
| EP-1056744-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2003-10-22 | — | — | EP | disclosed |
| US-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTISUB II INC. | 2003-06-05 | — | — | US | disclosed |
| US-6479487-B1 | INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS | AVENTIS PHARMACEUTICALS INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |