⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5292841 | 1.00 | — | — | |
| SCHEMBL2334387 | 0.80 | GABRR1 (0.56) | — | |
| SCHEMBL2324416 | 0.80 | GABRR1 (0.56) | — | |
| SCHEMBL2330401 | 0.80 | GABRR1 (0.56) | — | |
| SCHEMBL2424605 | 0.80 | GABRR1 (0.56) | — | |
| SCHEMBL3515974 | 0.80 | GABRR1 (0.56) | — | |
| SCHEMBL8018052 | 0.80 | GABRR1 (0.56) | — | |
| Isoleucine SCHEMBL6682941 | 0.79 | SLC7A5 (0.55) | — | |
| Isoleucine SCHEMBL288159 | 0.79 | — | — | |
| Isoleucine SCHEMBL21335 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898213-B | Polysubstituted 1, 3-diene supported ring compound and application thereof | 中国科学院上海药物研究所 | 2022-11-04 | — | — | CN | disclosed |
| CN-112898213-A | Polysubstituted 1, 3-diene supported ring compound and application thereof | 中国科学院上海药物研究所 | 2021-06-04 | — | — | CN | disclosed |