⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1144851 | 0.83 | CYP1A2 (0.35) | — | |
| SCHEMBL10874232 | 0.73 | — | — | |
| SCHEMBL4776294 | 0.73 | — | — | |
| SCHEMBL15845571 | 0.73 | — | — | |
| SCHEMBL11601690 | 0.71 | — | — | |
| SCHEMBL17786022 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL6509118 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL221076 | 0.69 | — | — | |
| SCHEMBL8821249 | 0.69 | — | — | |
| SCHEMBL1484684 | 0.67 | TAS2R38 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| WO-2005103035-A1 | MODIFIED FISCHER INDOLE SYNTHESIS OF ELETRIPTAN | PFIZER LIMITED (GB) | 2005-11-03 | — | — | WO | disclosed |
| US-4729855-A | Method of decontaminating radioactive metal surfaces | WESTINGHOUSE ELECTRIC CORP. (US) | 1988-03-08 | — | — | US | disclosed |