⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL364284 | 0.67 | HRH3 (0.36) | — | |
| SCHEMBL6203606 | 0.65 | — | — | |
| SCHEMBL28116640 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL5504193 | 0.63 | — | — | |
| SCHEMBL147803 | 0.61 | — | — | |
| SCHEMBL21550330 | 0.61 | — | — | |
| SCHEMBL1663658 | 0.61 | — | — | |
| SCHEMBL16720012 | 0.61 | PRKCI (0.51) | — | |
| SCHEMBL5496841 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL8755515 | 0.59 | — | — |
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-5073574-A | TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF | CIBA-GEIGY CORPORATION (US) | 1991-12-17 | — | — | US | disclosed |