⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL839411 | 0.94 | ALDH1A1 (0.32) | — | |
| Heptane SCHEMBL28498778 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL27603050 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL3268667 | 0.80 | ALDH1A1 (0.34) | — | |
| Hexane SCHEMBL29140428 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL27598550 | 0.78 | — | — | |
| SCHEMBL8346765 | 0.73 | — | — | |
| SCHEMBL14699481 | 0.73 | ALDH1A1 (0.34) | — | |
| Butane SCHEMBL28466965 | 0.71 | — | — | |
| SCHEMBL4739964 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427378-B1 | UNDERARM COMPOSITIONS CONTAINING ALPHA,OMEGA-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS | DOW CORNING (US) | 2010-06-16 | — | — | EP | disclosed |
| EP-1427378-A1 | UNDERARM COMPOSITIONS CONTAINING ALPHA,OMEGA-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS | Dow Corning Corporation (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003022241-A1 | UNDERARM COMPOSITIONS CONTAINING Α,&Omega;-DIENE CROSSLINKED SILICONE ELASTOMERS AND SILICONE RUBBER POWDERS | DOW CORNING CORPORATION (US) | 2003-03-20 | — | — | WO | disclosed |
| US-6406684-B1 | COMPOSITION FOR ANTIPERSPIRANT OR DEODORANT, VEHICLE, EMOLLIENT AND SILICONE | DOW CORNING CORPORATION | 2002-06-18 | — | — | US | disclosed |
| US-5628989-A | CONTAINING SPHERICAL SILICONE RUBBER POWDER WITH SPECIFIED PARTICLE SIZE AND HARDNESS; SPREAD WELL, SMOOTH, DRY FEEL | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1997-05-13 | — | — | US | disclosed |