⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18820294 | 0.73 | — | — | |
| SCHEMBL7746957 | 0.59 | — | — | |
| SCHEMBL11957633 | 0.58 | — | — | |
| SCHEMBL4959491 | 0.58 | — | — | |
| SCHEMBL13979189 | 0.58 | — | — | |
| SCHEMBL12259907 | 0.58 | — | — | |
| SCHEMBL12259908 | 0.58 | — | — | |
| SCHEMBL24127618 | 0.57 | — | — | |
| SCHEMBL12435440 | 0.57 | — | — | |
| SCHEMBL10738207 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113646050-A | Thieno [3,2-B ] pyrrolo [3,2-D ] pyridazinone derivatives and their use as PKM2 derivatives for the treatment of cancer, obesity and diabetes related disorders | 安吉奥斯医药品有限公司 | 2021-11-12 | — | — | CN | disclosed |
| US-20170274091-A1 | BENZODIAZEPINES AND CONJUGATES THEREOF | IMMUNOGEN, INC. | 2017-09-28 | — | — | US | disclosed |