⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15193 | 0.97 | — | — | |
| SCHEMBL9359592 | 0.97 | MEN1 (0.67) | — | |
| SCHEMBL29371456 | 0.97 | — | — | |
| Bromide SCHEMBL1389622 | 0.95 | — | — | |
| SCHEMBL8716225 | 0.95 | MEN1 (0.64) | — | |
| Iodide SCHEMBL326265 | 0.95 | — | — | |
| Water SCHEMBL9403577 | 0.95 | — | — | |
| SCHEMBL10649480 | 0.95 | — | — | |
| Fluoride SCHEMBL5611029 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL460608 | 0.95 | — | — |
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-4652311-A | POLYMER COMPLEX | SHIPLEY COMPANY INC. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0187962-A2 | Catalytic metal of reduced particle size | SHIPLEY COMPANY INC. (US) | 1986-07-23 | — | — | EP | disclosed |