⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9240933 | 0.93 | — | — | |
| Benzene SCHEMBL788131 | 0.93 | TSHR (0.50) | — | |
| Methane SCHEMBL3259854 | 0.76 | — | — | |
| Benzene SCHEMBL891552 | 0.76 | — | — | |
| Methane SCHEMBL896758 | 0.76 | — | — | |
| Benzene SCHEMBL27473863 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL5317629 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL28488648 | 0.76 | — | — | |
| Benzene SCHEMBL1901116 | 0.71 | — | — | |
| Benzene SCHEMBL483055 | 0.68 | TP53 (0.60) | — |
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-4081410-A | Polysiloxane surfactants useful for foaming polyurethane foams | GENERAL ELECTRIC COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-3965150-A | OXYALKYLENE-SILOXANE COPOLYMER INTERMEDIATE | GENERAL ELECTRIC COMPANY (US) | 1976-06-22 | — | — | US | disclosed |