⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL570228 | 0.77 | — | — | |
| SCHEMBL5573998 | 0.74 | — | — | |
| SCHEMBL6670306 | 0.74 | — | — | |
| SCHEMBL5909 | 0.74 | — | — | |
| SCHEMBL2184678 | 0.73 | LDHA (0.67) | — | |
| SCHEMBL28522 | 0.73 | LDHA (0.67) | — | |
| SCHEMBL10481674 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL27601131 | 0.71 | — | — | |
| SCHEMBL10939811 | 0.71 | GABRR1 (0.30) | — | |
| SCHEMBL14935695 | 0.70 | KDM4E (0.41) | — |
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-4097665-A | Diacylnucleosides and process for preparing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-06-27 | — | — | US | claimed |
| US-4139537-A | 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds | COOPER LABORATORIES, INC. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4097665-A | Diacylnucleosides and process for preparing the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-06-27 | — | — | US | disclosed |