⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9451059 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL10768111 | 0.71 | ACE2 (0.37) | — | |
| SCHEMBL2754363 | 0.71 | DRD2 (0.32) | — | |
| SCHEMBL9717661 | 0.70 | ESR1 (0.32) | — | |
| SCHEMBL9451066 | 0.67 | — | — | |
| SCHEMBL10981818 | 0.67 | ALDH1A1 (0.30) | — | |
| Alcohol SCHEMBL9874585 | 0.65 | ACE2 (0.31) | — | |
| SCHEMBL21955590 | 0.64 | HTT (0.31) | — | |
| SCHEMBL20529716 | 0.63 | NPC1 (0.30) | — | |
| SCHEMBL2753052 | 0.62 | P2RX7 (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 |
|---|---|---|---|---|---|---|---|
| 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 |