⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16250696 | 1.00 | — | — | |
| SCHEMBL25487696 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL24377292 | 0.75 | — | — | |
| SCHEMBL21913268 | 0.75 | — | — | |
| SCHEMBL18567979 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL23809356 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL11788550 | 0.73 | ADH1B (0.35) | — | |
| SCHEMBL27293476 | 0.73 | — | — | |
| SCHEMBL19263378 | 0.73 | — | — | |
| SCHEMBL24752967 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021018195-A1 | NOVEL TRICYCLIC COMPOUNDS AS BCR-ABL INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-02-04 | — | — | WO | disclosed |
| US-8188307-B2 | Method for producing an optically active tetrahydroquinoline | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |
| US-20100036149-A1 | METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE | TAKASAGO INTERNATIONAL COPORATION (JP) | 2010-02-11 | — | — | US | disclosed |