⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14508591 | 0.95 | RAD52 (0.44) | — | |
| SCHEMBL5348992 | 0.92 | RAD52 (0.47) | — | |
| SCHEMBL3314879 | 0.89 | — | — | |
| SCHEMBL25963986 | 0.85 | SIGMAR1 (0.47) | — | |
| SCHEMBL25975593 | 0.82 | CARM1 (0.35) | — | |
| SCHEMBL27461328 | 0.80 | SIGMAR1 (0.52) | — | |
| SCHEMBL16313544 | 0.80 | CARM1 (0.48) | — | |
| SCHEMBL3298507 | 0.80 | RAD52 (0.52) | — | |
| SCHEMBL24095527 | 0.78 | SIGMAR1 (0.32) | — | |
| SCHEMBL681346 | 0.78 | CXCR4 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022256554-A1 | FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME | UNIVERSITY OF THE SCIENCES (US) | 2022-12-08 | — | — | WO | disclosed |
| WO-2010141539-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXOSMITHKLINE LLC (US) | 2010-12-09 | — | — | WO | disclosed |
| US-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |