⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7041301 | 0.91 | MEN1 (0.59) | — | |
| SCHEMBL5178061 | 0.91 | MEN1 (0.59) | — | |
| SCHEMBL11215510 | 0.79 | — | — | |
| SCHEMBL10339980 | 0.79 | — | — | |
| SCHEMBL9290797 | 0.79 | — | — | |
| SCHEMBL1738255 | 0.77 | CYP1A2 (0.56) | — | |
| SCHEMBL1738252 | 0.77 | CYP1A2 (0.56) | — | |
| SCHEMBL23498114 | 0.76 | GRIN2D (0.84) | — | |
| Hydrochloric Acid SCHEMBL28418801 | 0.76 | GRIN2D (0.35) | — | |
| SCHEMBL1276676 | 0.76 | GRIN2D (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070071702-A1 | Use of a polyguanidine compound for treating or shaping the hair, especially for straightening or permanent-waving it | PHILIPPE MICHEL | 2007-03-29 | — | — | US | disclosed |
| US-7144572-B2 | Use of polyguanidine compound for treating or shaping the hair, especially for straightening or permanent-waving it | L'OREAL (FR) | 2006-12-05 | — | — | US | disclosed |
| US-20030133898-A1 | Use of polyguanidine compound for treating or shaping the hair, especially for straightening or permanent-waving it | L'OREAL (FR) | 2003-07-17 | — | — | US | disclosed |