⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1498756 | 0.75 | — | — | |
| SCHEMBL8569528 | 0.67 | — | — | |
| SCHEMBL28929948 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL10390597 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL2336566 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL14420251 | 0.61 | — | — | |
| Propane SCHEMBL28094712 | 0.61 | — | — | |
| SCHEMBL28394904 | 0.61 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL20425202 | 0.59 | — | — | |
| SCHEMBL14865766 | 0.58 | — | — |
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-5393353-A | Immersion of alloy surface in phosphorous acid selected from phosphoric, phosphorous or hypophosphoric acid and mixture containing atleast one silane compound; removal, drying | MCGEAN-ROHCO, INC. (US) | 1995-02-28 | — | — | US | disclosed |