⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83826 | 0.64 | — | — | |
| SCHEMBL30196030 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL10925085 | 0.60 | — | — | |
| SCHEMBL30905995 | 0.60 | — | — | |
| SCHEMBL3773143 | 0.60 | — | — | |
| SCHEMBL9653572 | 0.60 | — | — | |
| SCHEMBL538494 | 0.60 | — | — | |
| SCHEMBL11816743 | 0.56 | TSHR (0.35) | — | |
| Terephthalic Acid SCHEMBL9621388 | 0.50 | TSHR (0.41) | — | |
| Terephthalic Acid SCHEMBL1151273 | 0.48 | TSHR (0.92) | — |
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-116472112-A | Method for synthesizing and recycling metal-organic framework systems | 埃克森美孚技术与工程公司 | 2023-07-21 | — | — | CN | disclosed |