⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11498154 | 0.80 | CYP2C19 (0.53) | — | |
| SCHEMBL3904957 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29166054 | 0.77 | CYP2C19 (0.50) | — | |
| SCHEMBL9260890 | 0.77 | CA12 (0.55) | — | |
| SCHEMBL17383758 | 0.77 | — | — | |
| SCHEMBL14292747 | 0.77 | — | — | |
| SCHEMBL893035 | 0.74 | — | — | |
| SCHEMBL6656657 | 0.74 | — | — | |
| SCHEMBL1719670 | 0.74 | — | — | |
| SCHEMBL20921199 | 0.73 | PIK3CD (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63305928-A | — | — | None | — | — | JP | disclosed |
| JP-1022889-A | — | — | None | — | — | JP | disclosed |
| US-20100029529-A1 | Surfactant having chlorine-capturing ability and anti-discoloration ability and chemical formulation containing the same surfactant | KIKUCHI RYUJI | 2010-02-04 | — | — | US | disclosed |
| US-20070265181-A1 | Surfactant having chlorine-capturing ability and anti-discoloration ability and chemical formulation containing the same surfactant | KAWAKEN FINE CHEMICALS CO., LTD. (JP) | 2007-11-15 | — | — | US | disclosed |
| JP-S6422889-A | PHOSPHORIC ACID ESTER SALT | KANEBO LTD | 1989-01-25 | — | — | JP | disclosed |
| JP-S63305928-A | SURFACE ACTIVE AGENT | KANEBO LTD | 1988-12-13 | — | — | JP | disclosed |