⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12564807 | 0.75 | CAD (0.35) | — | |
| SCHEMBL14560233 | 0.71 | ERN1 (0.35) | — | |
| SCHEMBL24411771 | 0.71 | — | — | |
| SCHEMBL10464804 | 0.71 | — | — | |
| SCHEMBL332372 | 0.71 | — | — | |
| SCHEMBL24535680 | 0.71 | — | — | |
| SCHEMBL25234111 | 0.71 | — | — | |
| SCHEMBL23393913 | 0.71 | — | — | |
| SCHEMBL14749983 | 0.71 | — | — | |
| SCHEMBL2034638 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010047737-A2 | ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | MICURX PHARMACEUTICALS, INC. (KY) | 2010-04-29 | — | — | WO | disclosed |
| US-4002712-A | EXTRUSION OF A VISCOSE SOLUTION CONTAINING A CROSSLINKING AGENT | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |