⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6857283 | 0.82 | — | — | |
| SCHEMBL4434352 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9077180 | 0.77 | — | — | |
| SCHEMBL6857335 | 0.76 | — | — | |
| SCHEMBL258135 | 0.75 | CTSD (0.32) | — | |
| SCHEMBL4428442 | 0.75 | CTSD (0.32) | — | |
| SCHEMBL4426634 | 0.71 | CTSD (0.30) | — | |
| SCHEMBL6856810 | 0.71 | CTSD (0.30) | — | |
| SCHEMBL6855124 | 0.70 | — | — | |
| SCHEMBL4430868 | 0.69 | CTSD (0.31) | — |
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-108026115-B | Multi-head or double-head composition capable of being used for chain shuttling and preparation method thereof | 陶氏环球技术有限责任公司 | 2021-11-09 | — | — | CN | disclosed |