⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10667390 | 0.83 | — | — | |
| SCHEMBL10667386 | 0.83 | — | — | |
| SCHEMBL4947148 | 0.83 | — | — | |
| SCHEMBL11372402 | 0.83 | — | — | |
| SCHEMBL8894561 | 0.83 | — | — | |
| SCHEMBL23752415 | 0.81 | SI (0.38) | — | |
| SCHEMBL10836664 | 0.81 | SI (0.38) | — | |
| SCHEMBL9792876 | 0.72 | — | — | |
| SCHEMBL8079693 | 0.72 | — | — | |
| SCHEMBL8109466 | 0.72 | — | — |
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 3 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 |