⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9805072 | 1.00 | GPR84 (0.30) | — | |
| SCHEMBL9805329 | 1.00 | GPR84 (0.30) | — | |
| SCHEMBL9805077 | 1.00 | GPR84 (0.30) | — | |
| SCHEMBL9805351 | 0.97 | — | — | |
| SCHEMBL4603064 | 0.88 | — | — | |
| SCHEMBL7008843 | 0.85 | TRPV1 (0.36) | — | |
| SCHEMBL7006597 | 0.85 | TRPV1 (0.36) | — | |
| SCHEMBL10986825 | 0.85 | TRPV1 (0.36) | — | |
| SCHEMBL5985454 | 0.82 | LMNA (0.37) | — | |
| SCHEMBL3093760 | 0.77 | LMNA (0.50) | — |
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-116099978-A | Three-component amine method cold box binder | 济南圣泉集团股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| US-5063262-A | Polyoxazolines | HUELS AKTIENGESELLSCHAFT (DE) | 1991-11-05 | — | — | US | disclosed |
| US-5049602-A | Heat resistance | HUELS AKTIENGESELLSCHAFT (DE) | 1991-09-17 | — | — | US | disclosed |