⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3069033 | 1.00 | — | — | |
| SCHEMBL3076533 | 0.91 | — | — | |
| SCHEMBL3076491 | 0.86 | — | — | |
| SCHEMBL29415333 | 0.86 | — | — | |
| SCHEMBL1042486 | 0.78 | — | — | |
| Water SCHEMBL8875322 | 0.74 | — | — | |
| SCHEMBL30107621 | 0.72 | — | — | |
| SCHEMBL3068980 | 0.72 | — | — | |
| Ethyne SCHEMBL9248565 | 0.70 | — | — | |
| SCHEMBL117642 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995013280-A2 | 1,3,8,10 TETRASUBSTITUTED DERIVATIVES OF 4,5,6,7-TETRATHIOCINO-(1,2-b:3,4-b')-DIIMIDAZOLYL-2,9-DITHIONE, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENT | UNIVERSITA' DEGLI STUDI DI CAGLIARI (IT) | 1995-05-18 | — | — | WO | disclosed |