⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42679 | 0.95 | — | — | |
| SCHEMBL2357325 | 0.95 | TDP1 (1.00) | — | |
| SCHEMBL1887087 | 0.95 | — | — | |
| Fluoride SCHEMBL11776450 | 0.91 | — | — | |
| Hydrogen Peroxide SCHEMBL3473511 | 0.91 | — | — | |
| SCHEMBL4885950 | 0.91 | — | — | |
| Methane SCHEMBL7603386 | 0.91 | — | — | |
| Fluoride SCHEMBL8001538 | 0.91 | TDP1 (0.91) | — | |
| Fluoride SCHEMBL8001541 | 0.91 | — | — | |
| Water SCHEMBL21988146 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6441218-B2 | REACTING ADIPIC DIESTER WITH ALKOXIDE; COUPLING WITH HALOMETHYLSTYRENE | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 2002-08-27 | — | — | US | disclosed |
| US-20010041742-A1 | Process for producing 2-substituted propionic acid | NIPPON PETROCHEMICALS COMPANY, LIMITED, A CORPORATION OF JAPAN (JP) | 2001-11-15 | — | — | US | disclosed |