⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2218302 | 0.93 | — | — | |
| SCHEMBL2699202 | 0.80 | — | — | |
| SCHEMBL28705726 | 0.75 | — | — | |
| SCHEMBL28527326 | 0.73 | — | — | |
| SCHEMBL2681928 | 0.70 | — | — | |
| SCHEMBL10727596 | 0.64 | — | — | |
| SCHEMBL11256262 | 0.63 | — | — | |
| SCHEMBL9918145 | 0.62 | CRHBP (0.42) | — | |
| SCHEMBL9947429 | 0.62 | — | — | |
| SCHEMBL10674185 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8597956-B2 | Method and device for detection of nitroamines | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2013-12-03 | — | — | US | claimed |
| US-20120264222-A1 | Method and Device for Detection of Nitroamines | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2012-10-18 | — | — | US | claimed |
| EP-2510350-A2 | METHOD AND DEVICE FOR DETECTION OF NITROAMINES | Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) | 2012-10-17 | — | — | EP | claimed |
| WO-2011070572-A2 | METHOD AND DEVICE FOR DETECTION OF NITROAMINES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2011-06-16 | — | — | WO | claimed |