⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL283790 | 0.78 | — | — | |
| SCHEMBL8814555 | 0.75 | — | — | |
| SCHEMBL15638641 | 0.70 | — | — | |
| SCHEMBL3840014 | 0.70 | — | — | |
| SCHEMBL23164 | 0.70 | — | — | |
| SCHEMBL15404555 | 0.70 | — | — | |
| SCHEMBL15661910 | 0.68 | — | — | |
| SCHEMBL772806 | 0.67 | — | — | |
| SCHEMBL12552650 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL114502 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0931082-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | claimed |
| US-6221894-B1 | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. | MERCK & CO., INC. | 2001-04-24 | — | — | US | claimed |
| CN-117337287-A | Diazepan derivatives, process for their preparation and their use for improving, preventing and/or treating mental and neurological disorders | 2N制药公司 | 2024-01-02 | — | — | CN | disclosed |
| EP-0931082-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |