⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1582989 | 0.87 | SLC6A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5604464 | 0.86 | SLC6A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3735008 | 0.83 | ENPP3 (0.30) | — | |
| SCHEMBL4065890 | 0.82 | HTR7 (0.32) | — | |
| SCHEMBL16175630 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL540511 | 0.78 | — | — | |
| SCHEMBL6763284 | 0.78 | HTR1A (0.30) | — | |
| SCHEMBL4622630 | 0.77 | SLC6A4 (0.34) | — | |
| SCHEMBL7800531 | 0.77 | HPRT1 (0.35) | — | |
| SCHEMBL13822733 | 0.77 | ALDH1A1 (0.33) | — |
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-6713562-B2 | MOLDABILITY AND CAPABLE OF PROVIDING MOLDINGS HAVING PLIABILITY | MITSUI CHEMICALS, INC. (JP) | 2004-03-30 | — | — | US | disclosed |
| US-20030022999-A1 | Resin compositions and use of the same | KAGAMI MAMORU (JP) | 2003-01-30 | — | — | US | disclosed |