⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL354445 | 0.82 | — | — | |
| SCHEMBL11942570 | 0.74 | — | — | |
| SCHEMBL1997199 | 0.67 | — | — | |
| SCHEMBL12796571 | 0.63 | — | — | |
| SCHEMBL21410112 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL2542626 | 0.61 | — | — | |
| SCHEMBL2232793 | 0.61 | — | — | |
| SCHEMBL545598 | 0.61 | — | — | |
| SCHEMBL12850774 | 0.61 | — | — | |
| SCHEMBL14401939 | 0.61 | — | — |
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-5112827-A | Purine derivatives, pentoxifylline, anticholesterol, arterial antideposit agents | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-05-12 | — | — | US | disclosed |
| US-4092313-A | FROM 2,4-DICHLORO-5-FLUOROPYRIMIDINE AND AN ALCOHOLATE OR A PHENOLATE TO PRODUCE 2,4-DISUBSTITUTED DERIVATIVE, HYDROLYSIS | TAISHO PHARMACEUTICAL COMPANY LIMITED (JA) | 1978-05-30 | — | — | US | disclosed |
| US-4080455-A | ANTITUMOR | TAISHO PHARMACEUTICAL COMPANY LIMITED (JA) | 1978-03-21 | — | — | US | disclosed |