⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9497891 | 0.94 | CYP1A2 (0.35) | — | |
| SCHEMBL10941285 | 0.92 | CYP1A2 (0.34) | — | |
| SCHEMBL9499529 | 0.92 | CYP1A2 (0.34) | — | |
| SCHEMBL10941279 | 0.92 | CYP1A2 (0.34) | — | |
| SCHEMBL10941293 | 0.92 | CYP1A2 (0.34) | — | |
| SCHEMBL9499471 | 0.89 | LTA4H (0.35) | — | |
| SCHEMBL11749810 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL10427899 | 0.88 | LTA4H (0.38) | — | |
| SCHEMBL546443 | 0.86 | KCNH2 (0.32) | — | |
| Formaldehyde SCHEMBL27453434 | 0.84 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0272110-B1 | ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1993-04-07 | — | — | EP | disclosed |
| US-4990602-A | Bactericides | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |
| EP-0272110-A2 | Erythromycin a derivatives and method for the preparation of the same | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1988-06-22 | — | — | EP | disclosed |