⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL641045 | 0.81 | — | — | |
| Diphenylmethane SCHEMBL4421222 | 0.80 | SLC1A3 (0.50) | — | |
| SCHEMBL2825759 | 0.79 | — | — | |
| SCHEMBL2828575 | 0.79 | — | — | |
| SCHEMBL22951044 | 0.79 | — | — | |
| SCHEMBL23936809 | 0.79 | — | — | |
| SCHEMBL2825761 | 0.79 | — | — | |
| SCHEMBL10554738 | 0.79 | — | — | |
| SCHEMBL30428136 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6948108 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646906-A | Method for preparing GO (graphene oxide) gel with multiple stimulus responses | 华东交通大学 | 2016-06-08 | — | — | CN | disclosed |