⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17333587 | 0.82 | — | — | |
| SCHEMBL4029456 | 0.82 | — | — | |
| SCHEMBL11416464 | 0.81 | TSHR (0.52) | — | |
| SCHEMBL1785109 | 0.76 | CA12 (0.42) | — | |
| SCHEMBL6948550 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL17333689 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6233207 | 0.73 | DNM1 (0.41) | — | |
| Water SCHEMBL5077362 | 0.73 | CA12 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7371392 | 0.72 | TSHR (0.45) | — | |
| SCHEMBL5694373 | 0.71 | DNM1 (0.55) | — |
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-4225529-A | CIS COORDINATION COMPOUND HAVING ALKYLAMINE LIGANDS; ANTITUMOR | JOHNSON, MATTHEY & CO., LIMITED (GB) | 1980-09-30 | — | — | US | disclosed |