⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238766 | 1.00 | HIF1A (0.39) | — | |
| SCHEMBL29001721 | 0.96 | HIF1A (0.46) | — | |
| SCHEMBL2356063 | 0.96 | HIF1A (0.42) | — | |
| Hydrochloric Acid SCHEMBL28856596 | 0.92 | ALDH1A1 (0.39) | — | |
| SCHEMBL7052608 | 0.92 | HIF1A (0.50) | — | |
| SCHEMBL28470549 | 0.92 | HIF1A (0.50) | — | |
| Ethylene SCHEMBL28380221 | 0.88 | HIF1A (0.36) | — | |
| Piperazine SCHEMBL11178993 | 0.87 | HIF1A (0.55) | — | |
| SCHEMBL2010175 | 0.85 | CA2 (0.36) | — | |
| SCHEMBL1258379 | 0.85 | CA2 (0.42) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1794129-A4 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-09-02 | — | — | EP | claimed |
| US-7402670-B2 | Synthesis by chiral diamine-mediated asymmetric alkylation | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-07-22 | — | — | US | claimed |
| EP-1794129-A2 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-06-13 | — | — | EP | claimed |
| WO-2006039383-A2 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-13 | — | — | WO | claimed |
| US-20060069250-A1 | Synthesis by chiral diamine-mediated asymmetric alkylation | DENG XIAOHU | 2006-03-30 | — | — | US | claimed |
| CN-108452316-A | The treatment or prevention method of ocular infection | 星法马有限公司 | 2018-08-28 | — | — | CN | disclosed |
| EP-1794129-A4 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-09-02 | — | — | EP | disclosed |
| US-7402670-B2 | Synthesis by chiral diamine-mediated asymmetric alkylation | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-07-22 | — | — | US | disclosed |
| EP-1794129-A2 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006039383-A2 | SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-13 | — | — | WO | disclosed |
| US-20060069250-A1 | Synthesis by chiral diamine-mediated asymmetric alkylation | DENG XIAOHU | 2006-03-30 | — | — | US | disclosed |