⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5514558 | 0.78 | — | — | |
| SCHEMBL4826203 | 0.78 | — | — | |
| SCHEMBL12215996 | 0.78 | — | — | |
| SCHEMBL1645856 | 0.76 | — | — | |
| SCHEMBL16059549 | 0.76 | — | — | |
| SCHEMBL16059550 | 0.76 | — | — | |
| SCHEMBL15482549 | 0.74 | — | — | |
| Alanine SCHEMBL4601456 | 0.73 | GABRP (0.38) | — | |
| SCHEMBL5776499 | 0.73 | SLC1A3 (0.39) | — | |
| Alanine SCHEMBL4601454 | 0.73 | GABRP (0.38) | — |
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-112939855-A | Method for preparing 1, 4-dihydropyridine derivative containing azulene ring structure | 马鞍山市泰博化工科技有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-105594714-A | Insecticide for preventing houseflies | YANTAI MILUOKA CHEMICAL TECH CO LTD | 2016-05-25 | — | — | CN | disclosed |