⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4210461 | 0.86 | TSHR (0.38) | — | |
| SCHEMBL18061346 | 0.85 | — | — | |
| SCHEMBL38651363 | 0.85 | — | — | |
| SCHEMBL10747971 | 0.82 | EPHX1 (0.44) | — | |
| SCHEMBL452324 | 0.77 | — | — | |
| SCHEMBL3801581 | 0.76 | CA12 (0.32) | — | |
| SCHEMBL20451235 | 0.76 | — | — | |
| SCHEMBL16943603 | 0.76 | — | — | |
| SCHEMBL372475 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL15015559 | 0.74 | — | — |
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-4471132-A | REACTING POLYALKOXYSILANE WITH AMINE | GENERAL ELECTRIC COMPANY (US) | 1984-09-11 | — | — | US | claimed |
| EP-0417047-A2 | Microemulsions of aminopolysiloxans | SANDOZ LTD. (CH) | 1991-03-13 | — | — | EP | disclosed |
| US-4471132-A | REACTING POLYALKOXYSILANE WITH AMINE | GENERAL ELECTRIC COMPANY (US) | 1984-09-11 | — | — | US | disclosed |