⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12377078 | 1.00 | — | — | |
| SCHEMBL11871654 | 0.83 | — | — | |
| SCHEMBL11816870 | 0.81 | FAAH (0.50) | — | |
| SCHEMBL17850574 | 0.81 | KDM1A (0.36) | — | |
| SCHEMBL11816864 | 0.81 | FAAH (0.50) | — | |
| SCHEMBL8018919 | 0.80 | — | — | |
| SCHEMBL22171773 | 0.80 | — | — | |
| SCHEMBL4958831 | 0.80 | — | — | |
| SCHEMBL12511783 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL18317097 | 0.79 | FAAH (0.54) | — |
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-20240052109-A1 | POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF | ALCON INC. (CH) | 2024-02-15 | — | — | US | disclosed |
| WO-2021236221-A1 | HIGH-PERFORMANCE COMPOSITE MEMBRANES FOR GAS SEPARATION | OHIO STATE INNOVATION FOUNDATION (US) | 2021-11-25 | — | — | WO | disclosed |
| US-4118439-A | IONICALLY CROSSLINKED QUATERNARY AMMONIUM POLYMER | RHONE-POULENC S.A. (FR) | 1978-10-03 | — | — | US | disclosed |