⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129819 | 0.71 | — | — | |
| SCHEMBL26843622 | 0.69 | — | — | |
| SCHEMBL5613577 | 0.69 | — | — | |
| SCHEMBL1229186 | 0.69 | — | — | |
| SCHEMBL5925175 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL338605 | 0.67 | — | — | |
| SCHEMBL9664466 | 0.67 | — | — | |
| Ethylene SCHEMBL6629550 | 0.65 | — | — | |
| SCHEMBL3287225 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL2933239 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013160810-A2 | NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2013-10-31 | — | — | WO | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |