⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL948033 | 0.83 | — | — | |
| SCHEMBL9395434 | 0.81 | TSHR (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL9782552 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL9395446 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL253005 | 0.79 | — | — | |
| SCHEMBL7594167 | 0.77 | — | — | |
| SCHEMBL4675107 | 0.76 | — | — | |
| SCHEMBL8541464 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL3795992 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL56403 | 0.75 | TSHR (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5597513-A | Demulsifier composition and method of use | DEFOREST ENTERPRISES, INC. | 1997-01-28 | — | — | US | claimed |
| US-4247538-A | AMPHOTERIC SHAMPOO BASE, CATIONIC SURFACTANTS, POLYMERS | WITCO CHEMICAL CORPORATION (US) | 1981-01-27 | — | — | US | claimed |
| US-3964500-A | Lusterizing shampoo containing a polysiloxane and a hair-bodying agent | LEVER BROTHERS COMPANY (US) | 1976-06-22 | — | — | US | disclosed |