⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3312003 | 0.79 | — | — | |
| SCHEMBL28370752 | 0.77 | — | — | |
| SCHEMBL841879 | 0.68 | — | — | |
| SCHEMBL5693369 | 0.68 | CA12 (0.32) | — | |
| SCHEMBL3709290 | 0.67 | CA12 (0.31) | — | |
| Methane SCHEMBL8023817 | 0.67 | — | — | |
| SCHEMBL27957708 | 0.67 | — | — | |
| SCHEMBL28905614 | 0.67 | — | — | |
| SCHEMBL29063081 | 0.67 | — | — | |
| SCHEMBL28950143 | 0.66 | — | — |
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-5620787-A | ALSO CONTAINING AN ALKOXY-GROUP CONTAINING ORGANOSILICON COMPOUND, A SURFACTANT AND WATER | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| US-5521238-A | WITH AN ALKOXY-GROUP CONTAINING ORGANOSILICON COMPOUND, SURFACTANT AND WATER; LACK OF OFFENSIVE ODOR; GOOD STORAGE STABILITY; IMPROVES FEEL OF TREATED FIBERS | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 1996-05-28 | — | — | US | disclosed |