⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98091 | 0.88 | CYP1A2 (0.38) | — | |
| SCHEMBL7353897 | 0.88 | CYP1A2 (0.38) | — | |
| SCHEMBL3967137 | 0.83 | — | — | |
| SCHEMBL1698111 | 0.74 | — | — | |
| SCHEMBL7155825 | 0.70 | — | — | |
| SCHEMBL1678758 | 0.69 | — | — | |
| SCHEMBL15333431 | 0.69 | — | — | |
| SCHEMBL7296312 | 0.68 | FDPS (0.42) | — | |
| SCHEMBL14332329 | 0.67 | THRA (0.38) | — | |
| SCHEMBL9956080 | 0.66 | KMT2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0034876-A2 | Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof | PFIZER INC. (US) | 1981-09-02 | — | — | EP | disclosed |
| US-4283535-A | Method for the production of 2,4,6-triketohexahydrotriazines | CHEMISCHE WERKE HULS AG (DE) | 1981-08-11 | — | — | US | disclosed |