⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1399124 | 0.84 | TP53 (0.35) | — | |
| SCHEMBL2310527 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL4324459 | 0.70 | CA12 (0.32) | — | |
| SCHEMBL7766475 | 0.69 | TDP1 (0.31) | — | |
| SCHEMBL14197152 | 0.69 | MLYCD (0.38) | — | |
| SCHEMBL2495169 | 0.69 | GPR84 (0.44) | — | |
| SCHEMBL3065742 | 0.68 | — | — | |
| SCHEMBL20472201 | 0.68 | CA12 (0.46) | — | |
| SCHEMBL22236864 | 0.66 | CA12 (0.32) | — | |
| SCHEMBL4485645 | 0.66 | CA12 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120058068-A1 | COMPOSITIONS FOR REPAIRING AND RESTORING KERATIN-CONTAINING FIBERS | KELLY VAN GOGH. LLC | 2012-03-08 | — | — | US | disclosed |
| US-20120058067-A1 | COMPOSITIONS FOR TREATING KERATIN-CONTAINING FIBERS AND MAINTAINING DYED FIBER COLOR INTEGRITY | Kelly Van Gogh, LLC | 2012-03-08 | — | — | US | disclosed |