⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11573589 | 0.79 | FOLH1 (0.33) | — | |
| SCHEMBL17777048 | 0.77 | — | — | |
| SCHEMBL9109510 | 0.77 | — | — | |
| SCHEMBL1391237 | 0.77 | — | — | |
| SCHEMBL15969357 | 0.77 | — | — | |
| SCHEMBL30171020 | 0.77 | — | — | |
| SCHEMBL19736329 | 0.75 | DPP4 (0.35) | — | |
| SCHEMBL11638846 | 0.75 | — | — | |
| SCHEMBL22915854 | 0.75 | — | — | |
| SCHEMBL24444572 | 0.73 | — | — |
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-4075006-A | PESTICIDES, NEMATOCIDES, FUNGICIDES | PPG INDUSTRIES, INC. (US) | 1978-02-21 | — | — | US | disclosed |