⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20206099 | 0.76 | — | — | |
| SCHEMBL24066906 | 0.75 | CYP2C9 (0.30) | — | |
| SCHEMBL15591672 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL506529 | 0.71 | CA12 (0.39) | — | |
| SCHEMBL8326058 | 0.71 | — | — | |
| SCHEMBL122917 | 0.71 | — | — | |
| SCHEMBL4340547 | 0.70 | — | — | |
| SCHEMBL2207256 | 0.70 | CYP2C9 (0.39) | — | |
| SCHEMBL27446710 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL28661960 | 0.70 | CYP2C9 (0.34) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767191-B1 | Polymer, preparation process thereof, hairtreating compositions and cosmetic compositions | MITSUI CHEMICALS INC (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-5686066-A | Polyaspartic acid Zwitterionic derivatives, preparation processes thereof, hair-treating compositions and cosmetic compositions | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0767191-A2 | Polymer, preparation process thereof, hairtreating compositions and cosmetic compositions | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-04-09 | — | — | EP | disclosed |
| US-5541189-A | Substituted aliphatic amine-containing macrocyclic immunomodulators | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-4820738-A | ANTITUMOR AGENTS; CHELATING AGENTS; GROWTH INHIBITORS; LEUKEMIA | AMERICAN CYANAMID COMPANY (US) | 1989-04-11 | — | — | US | disclosed |
| US-4614618-A | CHELATING AGENTS AND ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1986-09-30 | — | — | US | disclosed |
| US-4540519-A | CHELATE COMPOUNDS, ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1985-09-10 | — | — | US | disclosed |
| US-4526989-A | And ascorbic acid salt | AMERICAN CYANAMID COMPANY (US) | 1985-07-02 | — | — | US | disclosed |
| US-4456552-A | CHELATION, ANTITUMOR | AMERICAN CYANAMID COMPANY (US) | 1984-06-26 | — | — | US | disclosed |
| US-4430501-A | CHELATION, ANTITUMOR, COMPLEXING, SEQUESTERING | AMERICAN CYANAMID COMPANY (US) | 1984-02-07 | — | — | US | disclosed |
| EP-0037486-B1 | METAL CHELATES OF 1,4-BIS(SUBSTITUTED-AMINO)-5,8-DIHYDROXY-ANTHRAQUINONES | AMERICAN CYANAMID COMPANY (US) | 1984-01-25 | — | — | EP | disclosed |
| US-4296030-A | ANTITUMOR AGENTS, DYES | AMERICAN CYANAMID COMPANY (US) | 1981-10-20 | — | — | US | disclosed |
| EP-0037486-A2 | Metal chelates of 1,4-bis(substituted-amino)-5,8-dihydroxy-anthraquinones | AMERICAN CYANAMID COMPANY (US) | 1981-10-14 | — | — | EP | disclosed |
| US-4278689-A | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4197249-A | ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |