⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698783 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL10953174 | 0.71 | — | — | |
| SCHEMBL8935001 | 0.69 | — | — | |
| Methane SCHEMBL11671765 | 0.69 | — | — | |
| SCHEMBL1926576 | 0.69 | — | — | |
| SCHEMBL6681164 | 0.68 | — | — | |
| SCHEMBL5166877 | 0.67 | — | — | |
| SCHEMBL28223604 | 0.67 | — | — | |
| SCHEMBL10936380 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL29094831 | 0.67 | CYP3A4 (0.36) | — |
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-5268464-A | Process for the preparation of nucleosides | CIBA-GEIGY CORPORATION (US) | 1993-12-07 | — | — | US | disclosed |