⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22382360 | 0.65 | — | — | |
| SCHEMBL15464974 | 0.64 | — | — | |
| SCHEMBL2386417 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL2386422 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL15181794 | 0.63 | — | — | |
| SCHEMBL15181851 | 0.63 | — | — | |
| SCHEMBL18332718 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL16996622 | 0.62 | SUV39H2 (0.31) | — | |
| SCHEMBL2877216 | 0.61 | QDPR (0.38) | — | |
| SCHEMBL31742535 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023099623-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-08 | — | — | WO | disclosed |
| EP-1142881-A1 | POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES | MEIJI SEIKA KAISHA LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |