⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31179739 | 0.76 | — | — | |
| SCHEMBL11780788 | 0.71 | ELANE (0.38) | — | |
| SCHEMBL28836090 | 0.70 | HTR2B (0.54) | — | |
| Viridepyronone SCHEMBL18270619 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL183551 | 0.70 | — | — | |
| SCHEMBL968257 | 0.69 | MAPT (0.47) | — | |
| SCHEMBL30688993 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL29111193 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL8807402 | 0.67 | HTR2B (0.47) | — | |
| SCHEMBL9456795 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4436968-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Ventus Therapeutics U.S., Inc. (US) | 2024-10-02 | — | — | EP | disclosed |
| WO-2023081441-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | VENTUS THERAPEUTICS U.S., INC. (US) | 2023-05-11 | — | — | WO | disclosed |
| US-20100009927-A1 | Anti-Inflammatory and Anti-Allergy Extracts from Nettle | HERBALSCIENCE GROUP LLC (US) | 2010-01-14 | — | — | US | disclosed |