⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5858618 | 1.00 | — | — | |
| SCHEMBL21678293 | 0.87 | MEN1 (0.41) | — | |
| SCHEMBL14947736 | 0.87 | MEN1 (0.41) | — | |
| SCHEMBL21678306 | 0.86 | — | — | |
| SCHEMBL14320257 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL14320256 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL21678299 | 0.79 | — | — | |
| SCHEMBL13688774 | 0.79 | — | — | |
| SCHEMBL14947737 | 0.79 | — | — | |
| SCHEMBL14548168 | 0.79 | — | — |
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-7084283-B2 | Synthesis of fluorinated molecules possesing high optical non-linearity | LOCKHEED MARTIN CORPORATION (US) | 2006-08-01 | — | — | US | disclosed |
| US-20040158084-A1 | Synthesis of fluorinated molecules possesing high optical non-linearity | LOCKHEED MARTIN CORPORATION | 2004-08-12 | — | — | US | disclosed |
| WO-2002076969-A1 | SYNTHESIS OF FLUORINATED MOLECULES POSSESSING HIGH OPTICAL NON-LINEARITY | LOCKHEED MARTIN CORPORATION (US) | 2002-10-03 | — | — | WO | disclosed |