⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10700267 | 0.79 | CHRNB2 (0.31) | — | |
| SCHEMBL7525152 | 0.74 | — | — | |
| SCHEMBL7670437 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL7672943 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL7670300 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL10768568 | 0.69 | — | — | |
| SCHEMBL7672398 | 0.69 | — | — | |
| SCHEMBL7677853 | 0.69 | CA12 (0.30) | — | |
| SCHEMBL7672862 | 0.67 | FDPS (0.37) | — | |
| SCHEMBL19741477 | 0.65 | ALDH1A1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104557561-A | Method for preparing N1,N1-diisoprylamino ethylamine or salts of N1,N1-diisoprylamino ethylamine | BEIJING YUEKANGKECHUANG MEDICAL TECHNOLOGY CO LTD | 2015-04-29 | — | — | CN | claimed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | claimed |
| CN-104557561-B | A kind of preparation method of N1, N1-diisopropyl ethylenediamine or its salt | 北京悦康科创医药科技有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-104557561-B | A kind of preparation method of N1, N1-diisopropyl ethylenediamine or its salt | 北京悦康科创医药科技有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-104557561-A | Method for preparing N1,N1-diisoprylamino ethylamine or salts of N1,N1-diisoprylamino ethylamine | BEIJING YUEKANGKECHUANG MEDICAL TECHNOLOGY CO LTD | 2015-04-29 | — | — | CN | disclosed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | disclosed |