⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1019220 | 1.00 | — | — | |
| SCHEMBL6948184 | 1.00 | — | — | |
| Bromide SCHEMBL9272773 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2379418 | 0.98 | — | — | |
| Acetic Acid SCHEMBL27856182 | 0.89 | HTR2C (0.38) | — | |
| SCHEMBL28319120 | 0.86 | — | — | |
| Tert-Butyl Formate SCHEMBL27988951 | 0.80 | TDP1 (0.42) | — | |
| SCHEMBL17644091 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2376191 | 0.76 | CA1 (0.48) | — | |
| SCHEMBL15927307 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3724162-B1 | INTERMEDIATES FOR OPTICALLY ACTIVE PIPERIDINE DERIVATIVES AND PREPARATION METHODS THEREOF | HK INNO N CORP (KR) | 2023-10-11 | — | — | EP | 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 |