⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL10715938 | 0.91 | TSHR (0.30) | — | |
| SCHEMBL74893 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL11235300 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL11225558 | 0.76 | — | — | |
| SCHEMBL16341452 | 0.74 | — | — | |
| SCHEMBL2540802 | 0.74 | — | — | |
| SCHEMBL16341270 | 0.74 | — | — | |
| SCHEMBL16341193 | 0.72 | CYP3A4 (0.39) | — | |
| SCHEMBL74894 | 0.70 | — | — | |
| SCHEMBL1999910 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100209520-A1 | ORAL PHARMACEUTICAL PREPARATION FOR COLON-SPECIFIC DELIVERY | AMATERASPHARMA INC. (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2143424-A1 | ORAL PHARMACEUTICAL PREPARATION FOR COLON-SPECIFIC DELIVERY | TEIKOKU SEIYAKU CO., LTD. (JP) | 2010-01-13 | — | — | EP | disclosed |