⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7845597 | 0.77 | — | — | |
| SCHEMBL2466171 | 0.74 | — | — | |
| SCHEMBL44125 | 0.70 | — | — | |
| SCHEMBL7864034 | 0.67 | — | — | |
| SCHEMBL5521959 | 0.67 | — | — | |
| SCHEMBL3716413 | 0.67 | — | — | |
| SCHEMBL83424 | 0.65 | — | — | |
| SCHEMBL7872327 | 0.64 | — | — | |
| SCHEMBL11210690 | 0.62 | — | — | |
| SCHEMBL7725 | 0.62 | — | — |
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-2021115372-A1 | VORTIOXETINE PRODRUG AND USE THEREOF | 江苏恩华药业股份有限公司 | 2021-06-17 | — | — | 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 |