⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL8010364 | 0.97 | ALDH1A1 (0.65) | — | |
| Piperazine SCHEMBL905449 | 0.97 | ALDH1A1 (0.65) | — | |
| Pyrrolidine SCHEMBL28160131 | 0.92 | ALDH1A1 (0.58) | — | |
| Acrylamide SCHEMBL25213622 | 0.91 | — | — | |
| Piperidine SCHEMBL8573009 | 0.89 | ALDH1A1 (0.55) | — | |
| Piperidine SCHEMBL2772399 | 0.89 | ALDH1A1 (0.55) | — | |
| Acrylamide SCHEMBL4784759 | 0.87 | — | — | |
| Morpholine SCHEMBL1638456 | 0.85 | ALDH1A1 (0.50) | — | |
| Acrylamide SCHEMBL27935571 | 0.85 | ALDH1A1 (0.65) | — | |
| Acrylamide SCHEMBL28115160 | 0.85 | ALDH1A1 (0.65) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107530257-A | Delivery of surfactant soluble antidandruff agents | 宝洁公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107530274-A | The method for realizing the targeted delivery of scalp Cleasing compositions and conditioning shampoo composition | 宝洁公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-102307722-B | Method for controlling depolymerization of polymer compositions | 罗地亚管理公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-103797019-A | Method for controlling depolymerization of polymer compositions | RHODIA OPERATIONS | 2014-05-14 | — | — | CN | disclosed |
| US-8598266-B2 | Flocculation agents for nanoparticle pollutants | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2013-12-03 | — | — | US | disclosed |
| WO-2012134432-A1 | FLOCCULATION AGENTS FOR NANOPARTICLE POLLUTANTS | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2012-10-04 | — | — | WO | disclosed |
| US-20120244052-A1 | FLOCCULATION AGENTS FOR NANOPARTICLE POLLUTANTS | CRESTLINE DIRECT FINANCE, L.P. | 2012-09-27 | — | — | US | disclosed |