⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26258117 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL7153465 | 0.84 | — | — | |
| SCHEMBL5613441 | 0.82 | — | — | |
| SCHEMBL10456884 | 0.82 | — | — | |
| SCHEMBL7872875 | 0.82 | — | — | |
| SCHEMBL10789672 | 0.82 | — | — | |
| SCHEMBL10789669 | 0.82 | — | — | |
| SCHEMBL26258150 | 0.82 | — | — | |
| SCHEMBL10482438 | 0.79 | — | — | |
| SCHEMBL30583941 | 0.79 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339907-A1 | PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2023-10-26 | — | — | US | 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 |
| US-4918201-A | Process for preparation of maleic anhydride | AMOCO CORPORATION (US) | 1990-04-17 | — | — | US | disclosed |
| US-4861738-A | Process for regenerating and stabilizing phosphorus-vanadium-oxygen complex catalysts | AMOCO CORPORATION (US) | 1989-08-29 | — | — | US | disclosed |
| US-4094816-A | DEACTIVATION WITH OXYGEN, REACTIVATION | STANDARD OIL COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4089807-A | Reactivation of a phosphorus-vanadium-oxygen complex oxidation catalyst | STANDARD OIL COMPANY (INDIANA) (US) | 1978-05-16 | — | — | US | disclosed |
| US-4020174-A | Reactivation of maleic anhydride producing phosphorus-vanadium-oxygen complex oxidation catalysts by treatment with halide containing materials | STANDARD OIL COMPANY (INDIANA) (US) | 1977-04-26 | — | — | US | disclosed |