⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103128 | 0.75 | — | — | |
| SCHEMBL29476041 | 0.75 | — | — | |
| SCHEMBL112382 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5794069 | 0.72 | ALDH1A1 (0.62) | — | |
| SCHEMBL29462674 | 0.72 | ALDH1A1 (0.55) | — | |
| SCHEMBL2562278 | 0.72 | — | — | |
| SCHEMBL129103 | 0.72 | — | — | |
| SCHEMBL27875052 | 0.70 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4372816 | 0.70 | ALDH1A1 (0.59) | — | |
| SCHEMBL31395718 | 0.69 | ALDH1A1 (0.44) | — |
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-2023169569-A1 | TRICYCLIC HETEROCYCLE COMPOUNDS AS IAP ANTAGONISTS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2023-09-14 | — | — | WO | disclosed |
| EP-2250157-A1 | NOVEL HETEROCYCLIC COMPOUNDS | Panacea Biotec Limited (IN) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009093269-A1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LIMITED (IN) | 2009-07-30 | — | — | WO | disclosed |