⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3644046 | 0.96 | — | — | |
| SCHEMBL144710 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL718322 | 0.92 | — | — | |
| Water SCHEMBL190438 | 0.92 | — | — | |
| Fluoride SCHEMBL190901 | 0.92 | — | — | |
| Acetic Acid SCHEMBL319666 | 0.87 | FFAR3 (0.41) | — | |
| Oxalic Acid SCHEMBL1052168 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL28991824 | 0.83 | ALDH1A1 (0.37) | — | |
| Lactic Acid SCHEMBL3820380 | 0.83 | TP53 (0.58) | — | |
| Perchlorate SCHEMBL6561573 | 0.81 | ALDH1A1 (0.35) | — |
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-4719167-A | Positive photoresist composition with 1,2 naphthoquinone diazide and novolak resin condensed from mixture of m-cresol, p-cresol, and 2,5-xylenol with formaldehyde | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1988-01-12 | — | — | US | disclosed |