⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL2814750 | 0.88 | — | — | |
| SCHEMBL10400524 | 0.87 | — | — | |
| SCHEMBL16806266 | 0.87 | — | — | |
| SCHEMBL445334 | 0.87 | — | — | |
| Water SCHEMBL148627 | 0.84 | TDP1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL33496 | 0.84 | — | — | |
| Bromide SCHEMBL4947964 | 0.84 | — | — | |
| SCHEMBL5087870 | 0.84 | — | — | |
| Methoxymethane SCHEMBL10607770 | 0.82 | — | — | |
| Ethylene SCHEMBL2578455 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000043212-A1 | INK JET PRINTING LAYER, PAPER OR FILM HAVING SUCH A LAYER AND A METHOD FOR COATING A SURFACE | HEINR. AUG. SCHOELLER SÖHNE GMBH & CO. KG (DE) | 2000-07-27 | — | — | WO | disclosed |