⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23016998 | 0.80 | — | — | |
| SCHEMBL23735966 | 0.76 | — | — | |
| SCHEMBL30382479 | 0.76 | — | — | |
| SCHEMBL24629134 | 0.76 | CA12 (0.30) | — | |
| SCHEMBL6322681 | 0.74 | — | — | |
| SCHEMBL27326043 | 0.73 | — | — | |
| SCHEMBL13818423 | 0.71 | CA12 (0.36) | — | |
| SCHEMBL16199757 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL5502769 | 0.69 | HTR6 (0.48) | — | |
| SCHEMBL10203510 | 0.67 | MMP2 (0.37) | — |
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-2023070076-A1 | COMPOUNDS FOR CANCERS DRIVEN BY BRAF MUTATION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-04-27 | — | — | WO | disclosed |
| EP-2736885-B1 | QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) | SUN PHARMA ADVANCED RES CO LTD (IN) | 2020-03-25 | — | — | EP | disclosed |