⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10708189 | 0.84 | — | — | |
| SCHEMBL28557239 | 0.79 | — | — | |
| SCHEMBL11705284 | 0.79 | MAPK1 (0.35) | — | |
| SCHEMBL8820911 | 0.75 | — | — | |
| SCHEMBL14561038 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL134615 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL3801500 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL9585530 | 0.73 | — | — | |
| SCHEMBL10339365 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL6690069 | 0.73 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053183-A1 | COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR | NOXELL CORPORATION (US) | 2018-03-22 | — | — | WO | claimed |
| WO-2023111715-A1 | COMPOSITIONS COMPRISING CLEAVABLE CROSSLINKERS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2023-06-22 | — | — | WO | disclosed |