⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27428464 | 0.82 | — | — | |
| SCHEMBL6283190 | 0.77 | — | — | |
| SCHEMBL9338929 | 0.77 | — | — | |
| SCHEMBL27475540 | 0.76 | — | — | |
| SCHEMBL6196708 | 0.75 | — | — | |
| SCHEMBL1933931 | 0.75 | — | — | |
| SCHEMBL25239568 | 0.74 | — | — | |
| SCHEMBL3420675 | 0.74 | — | — | |
| SCHEMBL6421884 | 0.72 | — | — | |
| SCHEMBL10385419 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4264260-A1 | METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) | 2023-10-25 | — | — | EP | claimed |
| WO-2022137232-A1 | METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) | 2022-06-30 | — | — | WO | claimed |
| US-20240044832-A1 | METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) | 2024-02-08 | — | — | US | disclosed |
| EP-4264260-A1 | METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022137232-A1 | METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) | 2022-06-30 | — | — | WO | disclosed |