⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28475733 | 0.97 | FOLH1 (0.62) | — | |
| SCHEMBL2440247 | 0.88 | FOLH1 (0.71) | — | |
| SCHEMBL2871925 | 0.88 | FOLH1 (0.76) | — | |
| SCHEMBL2877712 | 0.84 | CPB2 (0.68) | — | |
| SCHEMBL29534338 | 0.83 | CPB2 (0.74) | — | |
| SCHEMBL14862395 | 0.83 | CPB2 (0.75) | — | |
| SCHEMBL2873943 | 0.82 | FOLH1 (0.67) | — | |
| SCHEMBL350816 | 0.82 | — | — | |
| SCHEMBL2142956 | 0.81 | — | — | |
| SCHEMBL3520055 | 0.80 | CPB2 (0.70) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111790094-A | Fly ash chelating agent and preparation method and application thereof | 南通乐尔环保科技有限公司 | 2020-10-20 | — | — | CN | claimed |
| EP-1570835-B1 | Composition for the permanent deformation of the hair comprising at least one carboxydithiol | OREAL (FR) | 2010-10-20 | — | — | EP | claimed |
| US-20050208007-A1 | Composition to permanently reshape the hair containing at least one carboxydithiol | L'OREAL S.A. (FR) | 2005-09-22 | — | — | US | claimed |
| EP-1570835-A1 | Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol | L'OREAL (FR) | 2005-09-07 | — | — | EP | claimed |
| CN-111790094-A | Fly ash chelating agent and preparation method and application thereof | 南通乐尔环保科技有限公司 | 2020-10-20 | — | — | CN | disclosed |
| US-20100190902-A1 | ALKYLTIN SULFANYL ESTER THIOLS | CHEMTURA CORPORATION (US) | 2010-07-29 | — | — | US | disclosed |
| US-20050208007-A1 | Composition to permanently reshape the hair containing at least one carboxydithiol | L'OREAL S.A. (FR) | 2005-09-22 | — | — | US | disclosed |
| EP-1570835-A1 | Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol | L'OREAL (FR) | 2005-09-07 | — | — | EP | disclosed |