⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262072 | 0.78 | — | — | |
| N,N'-Dinitrosopiperazine SCHEMBL2353649 | 0.78 | — | — | |
| SCHEMBL95583 | 0.73 | — | — | |
| SCHEMBL11507080 | 0.72 | — | — | |
| SCHEMBL606668 | 0.72 | — | — | |
| SCHEMBL4007001 | 0.71 | — | — | |
| SCHEMBL605035 | 0.69 | — | — | |
| SCHEMBL105009 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL1578024 | 0.69 | — | — | |
| SCHEMBL4136116 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130296279-A1 | SUBSTITUTED TETRACYCLINES | CONCERT PHARMACEUTICALS INC. | 2013-11-07 | — | — | US | disclosed |
| US-20120058085-A1 | Deuterium Modified Benzimidazoles | CONCERT PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |