⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7773048 | 0.88 | ALDH1A1 (0.38) | — | |
| SCHEMBL31417778 | 0.88 | CDK1 (0.30) | — | |
| SCHEMBL15898194 | 0.78 | HSD17B10 (0.30) | — | |
| SCHEMBL8728580 | 0.78 | — | — | |
| SCHEMBL14302813 | 0.78 | — | — | |
| SCHEMBL5547173 | 0.76 | — | — | |
| SCHEMBL15309030 | 0.74 | — | — | |
| SCHEMBL21361694 | 0.74 | CES2 (0.43) | — | |
| SCHEMBL4676186 | 0.73 | — | — | |
| SCHEMBL678592 | 0.73 | — | — |
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-105037373-A | Method for synthesizing pyrazolo [3,4-d ] pyrimidine compound | BEIJING INST TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |
| EP-0819753-A1 | Fuel additive | NIPPON OIL CO. LTD. (JP) | 1998-01-21 | — | — | EP | disclosed |
| EP-0087585-A1 | Method for the preparation of 3-alkoxy-acrylonitriles | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1983-09-07 | — | — | EP | disclosed |