⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5499843 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL28392328 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL3229724 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL16468643 | 0.72 | TSHR (0.33) | — | |
| Acrylic Acid SCHEMBL11357045 | 0.69 | ALOX15 (0.42) | — | |
| SCHEMBL14877367 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL36379 | 0.69 | — | — | |
| Methacrylic Acid SCHEMBL9779389 | 0.69 | TET2 (0.36) | — | |
| SCHEMBL7150128 | 0.68 | CHRM1 (0.37) | — | |
| SCHEMBL1326397 | 0.68 | LMNA (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7025954-B2 | Materials for reshaping of essentially rigid keratinaceous surfaces | ESSTECH, INC. (US) | 2006-04-11 | — | — | US | disclosed |
| EP-1148862-A4 | MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES | ESSCHEM INC (US) | 2006-01-04 | — | — | EP | disclosed |
| US-20030215635-A1 | Materials for reshaping of essentially rigid keratinaceous surfaces | ESSTECH, INC. | 2003-11-20 | — | — | US | disclosed |
| EP-1148862-A1 | MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES | Esschem, Inc. (US) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000045775-A1 | MATERIALS AND METHODS FOR RESHAPING OF ESSENTIALLY KERATINACEOUS SURFACES | ESSCHEM, INC. (US) | 2000-08-10 | — | — | WO | disclosed |
| US-6080389-A | Materials and methods for reshaping of essentially rigid keratinaceous surfaces | ESSCHEM, INC. (US) | 2000-06-27 | — | — | US | disclosed |