⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366468 | 0.79 | LMNA (0.33) | — | |
| Hydrochloric Acid SCHEMBL28885497 | 0.78 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL28754220 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL9861865 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL514063 | 0.76 | — | — | |
| SCHEMBL2493718 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL4365014 | 0.73 | — | — | |
| SCHEMBL11178273 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL303927 | 0.73 | ODC1 (0.33) | — | |
| SCHEMBL23530025 | 0.73 | HTT (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2289975-B1 | Organopolysiloxane compound and amidoamine compound, and cosmetic preparation | SHINETSU CHEMICAL CO (JP) | 2012-08-22 | — | — | EP | disclosed |
| US-20110052523-A1 | ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-03-03 | — | — | US | disclosed |
| EP-2289975-A2 | Organopolysiloxane compound and amidoamine compound, and cosmetic preparation | Shin-Etsu Chemical Co., Ltd. (JP) | 2011-03-02 | — | — | EP | disclosed |