⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8688688 | 1.00 | — | — | |
| SCHEMBL8688803 | 1.00 | — | — | |
| SCHEMBL3875807 | 0.91 | SI (0.42) | — | |
| SCHEMBL317973 | 0.88 | SI (0.41) | — | |
| SCHEMBL9470735 | 0.80 | GBA1 (0.39) | — | |
| SCHEMBL8626797 | 0.80 | SI (0.36) | — | |
| SCHEMBL6778665 | 0.76 | — | — | |
| SCHEMBL18254119 | 0.75 | GBA1 (0.37) | — | |
| SCHEMBL14608558 | 0.73 | GLB1 (0.43) | — | |
| SCHEMBL8019687 | 0.73 | CA1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5246931-A | Triazine-substituted cyclobutane derivatives; viricides; side effect reduction | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-09-21 | — | — | US | disclosed |
| US-5153352-A | Viricides and antitumor agent | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0366059-A2 | Carbocyclic nucleoside analogs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-05-02 | — | — | EP | disclosed |
| EP-0335355-A2 | Bis-(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. Squibb & Sons, Inc. (US) | 1989-10-04 | — | — | EP | disclosed |