⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28322761 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL28655835 | 0.73 | KDR (0.40) | — | |
| SCHEMBL508592 | 0.72 | — | — | |
| SCHEMBL29043932 | 0.71 | P2RX7 (0.31) | — | |
| SCHEMBL782969 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL27488125 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL3914458 | 0.67 | KMT2A (0.39) | — | |
| SCHEMBL9399022 | 0.67 | — | — | |
| SCHEMBL30664890 | 0.67 | HSD17B10 (0.48) | — | |
| SCHEMBL28560571 | 0.67 | ELANE (0.41) | — |
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-1922183-A | Nitrogenous fused heteroaromatic ring derivative | BANYU PHARMA CO LTD (JP) | 2007-02-28 | — | — | CN | claimed |
| CN-103193702-B | Functionalization method for nitrogenous heterocyclic compound | UNIV SHAANXI NORMAL | 2014-12-24 | — | — | CN | disclosed |
| CN-1922183-B | Nitrogenous fused heteroaromatic ring derivative | BANYU PHARMA CO LTD | 2010-05-26 | — | — | CN | disclosed |
| CN-1922183-A | Nitrogenous fused heteroaromatic ring derivative | BANYU PHARMA CO LTD (JP) | 2007-02-28 | — | — | CN | disclosed |