⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7071644 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL3058859 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL790048 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL7601810 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL28250268 | 0.78 | — | — | |
| SCHEMBL5482395 | 0.76 | — | — | |
| SCHEMBL4392722 | 0.76 | — | — | |
| SCHEMBL5692436 | 0.76 | — | — | |
| SCHEMBL7907283 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL16486718 | 0.73 | LMNA (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1838758-B1 | POLYSILOXANES, METHOD OF SYNTHESIS AND OPHTHALMIC COMPOSITIONS | AMO GRONINGEN BV (NL) | 2017-04-12 | — | — | EP | disclosed |
| EP-1838758-A1 | POLYSILOXANES, METHOD OF SYNTHESIS AND OPHTHALMIC COMPOSITIONS | AMO Groningen B.V. (NL) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006068986-A1 | POLYSILOXANES, METHOD OF SYNTHESIS AND OPHTHALMIC COMPOSITIONS | AMO GRONINGEN B.V. (NL) | 2006-06-29 | — | — | WO | disclosed |
| US-20060134173-A1 | Polysiloxanes, method of synthesis and ophthalmic compositions | AMO GRONINGEN B.V. (NL) | 2006-06-22 | — | — | US | disclosed |