⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22720088 | 1.00 | — | — | |
| SCHEMBL5225497 | 0.98 | CYP2D6 (0.47) | — | |
| SCHEMBL13832621 | 0.93 | — | — | |
| SCHEMBL13832681 | 0.93 | — | — | |
| SCHEMBL7019193 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL13739243 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL13740079 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL13739242 | 0.91 | — | — | |
| SCHEMBL13601119 | 0.80 | — | — | |
| SCHEMBL27905383 | 0.78 | CYP2D6 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4452964-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | Boehringer Ingelheim International GmbH (DE) | 2024-10-30 | — | — | EP | disclosed |
| WO-2023117681-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-29 | — | — | WO | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |
| CN-1040366-A | Butenoic acid or acrylic acid derivative | EISAI CO LTD (JP) | 1990-03-14 | — | — | CN | disclosed |