⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24442191 | 0.84 | MEN1 (0.46) | — | |
| SCHEMBL11151777 | 0.83 | ODC1 (0.39) | — | |
| SCHEMBL19131303 | 0.82 | — | — | |
| SCHEMBL18652190 | 0.82 | — | — | |
| SCHEMBL22124556 | 0.80 | — | — | |
| SCHEMBL24743623 | 0.80 | TSHR (0.34) | — | |
| SCHEMBL24442173 | 0.79 | — | — | |
| SCHEMBL24442272 | 0.79 | — | — | |
| SCHEMBL24442199 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL24442267 | 0.79 | MEN1 (0.36) | — |
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-20120141483-A1 | METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES | DARA BIOSCIENCES, INC. | 2012-06-07 | — | — | US | disclosed |
| US-5417959-A | Functionalized aza-crytand ligands for diagnostic imaging applications | MALLINCKRODT MEDICAL, INC. (US) | 1995-05-23 | — | — | US | disclosed |
| WO-1995010217-A2 | FUNCTIONALIZED AZA-CRYPTAND LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-04-20 | — | — | WO | disclosed |