⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9845113 | 0.80 | — | — | |
| SCHEMBL17607581 | 0.80 | — | — | |
| SCHEMBL8329514 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL598372 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL28915150 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL100229 | 0.77 | — | — | |
| SCHEMBL4464863 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL24686791 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL6690069 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL20609981 | 0.74 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200171214-A1 | BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION | DREI LILIEN PVG GMBH & CO. KG (DE) | 2020-06-04 | — | — | US | disclosed |
| EP-3648806-A1 | BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION | Drei Lilien PVG GmbH & Co. KG (DE) | 2020-05-13 | — | — | EP | disclosed |
| WO-2011112281-A1 | SYSTEM AND METHOD FOR ALKYLATION PROCESS ANALYSIS | INVENSYS SYSTEMS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |