⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10278471 | 0.78 | DYRK1A (0.41) | — | |
| SCHEMBL18909670 | 0.76 | — | — | |
| SCHEMBL27342877 | 0.72 | DYRK1A (0.30) | — | |
| SCHEMBL27315624 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL27310427 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL27344323 | 0.69 | — | — | |
| SCHEMBL29019631 | 0.66 | MCL1 (0.41) | — | |
| SCHEMBL22264572 | 0.66 | ATM (0.50) | — | |
| SCHEMBL9123618 | 0.65 | — | — | |
| SCHEMBL1670925 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372263-A2 | Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof | AMERICAN CYANAMID COMPANY (US) | 1990-06-13 | — | — | EP | disclosed |