⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13143507 | 0.80 | — | — | |
| SCHEMBL443124 | 0.80 | OPRM1 (0.31) | — | |
| SCHEMBL18909701 | 0.78 | — | — | |
| SCHEMBL14102785 | 0.71 | — | — | |
| SCHEMBL14753709 | 0.71 | CXCR4 (0.32) | — | |
| SCHEMBL321360 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL24070538 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL2279102 | 0.70 | — | — | |
| SCHEMBL15925070 | 0.70 | KDM1A (0.30) | — | |
| SCHEMBL18576314 | 0.70 | — | — |
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-20070254920-A1 | Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use | AERIE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | US | disclosed |
| US-20070254920-A1 | Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use | AERIE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | US | disclosed |