⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2344033 | 0.94 | HSD17B10 (0.36) | — | |
| SCHEMBL7997017 | 0.92 | CETP (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28128663 | 0.90 | CETP (0.35) | — | |
| SCHEMBL648729 | 0.88 | — | — | |
| SCHEMBL648728 | 0.88 | — | — | |
| Water SCHEMBL25398465 | 0.86 | — | — | |
| SCHEMBL1155482 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL9636003 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL7999321 | 0.84 | CETP (0.36) | — | |
| SCHEMBL18459773 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4350774-A | EMULSION OF ACRYLIC POLYMER, FILLER, FOAMING AGENT AND PROPELLANT | STERLING DRUG INC. | 1982-09-21 | — | — | US | disclosed |