⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10775062 | 0.98 | — | — | |
| SCHEMBL10780950 | 0.76 | — | — | |
| SCHEMBL10818181 | 0.74 | — | — | |
| SCHEMBL3312141 | 0.72 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL11034116 | 0.72 | — | — | |
| SCHEMBL10818183 | 0.71 | — | — | |
| SCHEMBL10775597 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL11498886 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL11003277 | 0.69 | — | — | |
| SCHEMBL11003275 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4702821-A | SUPPRESSING COPPER, IRON OR LEAD WHILE RECOVERING MOLYBDENUM | PHILLIPS PETROLEUM COMPANY (US) | 1987-10-27 | — | — | US | claimed |
| US-4702821-A | SUPPRESSING COPPER, IRON OR LEAD WHILE RECOVERING MOLYBDENUM | PHILLIPS PETROLEUM COMPANY (US) | 1987-10-27 | — | — | US | disclosed |