⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9123795 | 0.86 | OPRM1 (0.36) | — | |
| SCHEMBL2336574 | 0.79 | — | — | |
| SCHEMBL819387 | 0.79 | — | — | |
| SCHEMBL28051477 | 0.78 | OPRM1 (0.32) | — | |
| SCHEMBL8569531 | 0.78 | OPRM1 (0.32) | — | |
| SCHEMBL28015353 | 0.78 | — | — | |
| SCHEMBL27820284 | 0.76 | — | — | |
| SCHEMBL7630638 | 0.75 | — | — | |
| SCHEMBL1069100 | 0.75 | NFKB1 (0.30) | — | |
| Isopropylamine SCHEMBL9064679 | 0.72 | LMNA (0.38) | — |
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-5385961-A | Coating aminofunctional polysiloxane over solid phosphite core; nonhydrolyzing | GENERAL ELECTRIC COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0609034-A1 | Amino silicone/phosphite compositions | GENERAL ELECTRIC COMPANY (US) | 1994-08-03 | — | — | EP | disclosed |
| US-4496705-A | TREATING POLYSILOXANE WITH ORGANO-SULTONE | GENERAL ELECTRIC COMPANY (US) | 1985-01-29 | — | — | US | disclosed |