⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11256413 | 0.71 | — | — | |
| SCHEMBL11610715 | 0.71 | — | — | |
| SCHEMBL11256410 | 0.71 | — | — | |
| SCHEMBL30954436 | 0.70 | — | — | |
| SCHEMBL4310978 | 0.69 | — | — | |
| SCHEMBL11400690 | 0.69 | — | — | |
| SCHEMBL4310976 | 0.69 | — | — | |
| SCHEMBL5075907 | 0.69 | — | — | |
| SCHEMBL5075905 | 0.69 | — | — | |
| SCHEMBL20624820 | 0.69 | TSHR (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250197402-A1 | Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2025-06-19 | — | — | US | disclosed |
| US-20230151012-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2023-05-18 | — | — | US | disclosed |
| EP-1945664-A2 | METHOD AND ANTIBODIES FOR DETECTING NITROFURAN | Charm Sciences Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007024735-A2 | METHOD AND ANTIBODIES FOR DETECTING NITROFURAN | CHARM SCIENCES, INC. (US) | 2007-03-01 | — | — | WO | disclosed |
| US-4532082-A | Preparation of 3-cyano-2-alkylalkanals | BASF AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |