⚠ 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 | |
|---|---|---|---|---|
| Dimethylformamide SCHEMBL28213128 | 0.88 | TSHR (0.41) | — | |
| SCHEMBL1863884 | 0.81 | KDM7A (0.43) | — | |
| SCHEMBL28261501 | 0.78 | — | — | |
| SCHEMBL6771400 | 0.73 | — | — | |
| SCHEMBL2755808 | 0.73 | — | — | |
| SCHEMBL28912052 | 0.72 | — | — | |
| SCHEMBL30413685 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL10623380 | 0.69 | NFKB1 (0.54) | — | |
| SCHEMBL64716 | 0.69 | — | — | |
| SCHEMBL20178517 | 0.69 | NFKB1 (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602825-A | Purine compounds having anticancer activity | 中央研究院 | 2018-09-28 | — | — | CN | disclosed |
| EP-0005051-B1 | 4-DESACETYL VLB C-3 CARBOXHYDRAZIDES, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 1982-12-01 | — | — | EP | disclosed |
| EP-0005051-A1 | 4-Desacetyl VLB C-3 carboxhydrazides, their preparation and formulations containing them | ELI LILLY AND COMPANY (US) | 1979-10-31 | — | — | EP | disclosed |