⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28675573 | 0.85 | MEN1 (0.40) | — | |
| SCHEMBL31286309 | 0.85 | GRM5 (0.59) | — | |
| SCHEMBL15870932 | 0.85 | GRM5 (0.59) | — | |
| SCHEMBL29994137 | 0.76 | — | — | |
| SCHEMBL31398425 | 0.76 | — | — | |
| SCHEMBL28806725 | 0.76 | — | — | |
| SCHEMBL15870983 | 0.76 | — | — | |
| SCHEMBL16115141 | 0.76 | — | — | |
| SCHEMBL4637898 | 0.73 | GRM5 (0.49) | — | |
| SCHEMBL23497950 | 0.71 | GRM5 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101817823-B | Preparation method of 4,7-diazaindole and 5-site substitute thereof | SHANGHAI BEPHARM SCIENCE & TECHNOLOGY CO LTD | 2012-09-12 | — | — | CN | claimed |
| CN-101817823-A | Preparation method of 4,7-diazaindole and 5-site substitute thereof | SHANGHAI BEPHARM SCIENCE & TECHNOLOGY CO LTD | 2010-09-01 | — | — | CN | claimed |
| CN-101817823-B | Preparation method of 4,7-diazaindole and 5-site substitute thereof | SHANGHAI BEPHARM SCIENCE & TECHNOLOGY CO LTD | 2012-09-12 | — | — | CN | disclosed |
| CN-101817823-A | Preparation method of 4,7-diazaindole and 5-site substitute thereof | SHANGHAI BEPHARM SCIENCE & TECHNOLOGY CO LTD | 2010-09-01 | — | — | CN | disclosed |