⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11208490 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15671173 | 0.97 | — | — | |
| SCHEMBL2403021 | 0.74 | — | — | |
| SCHEMBL29258594 | 0.73 | — | — | |
| SCHEMBL6325933 | 0.71 | — | — | |
| SCHEMBL5427480 | 0.70 | GABRR1 (0.31) | — | |
| SCHEMBL27831691 | 0.69 | — | — | |
| SCHEMBL17373977 | 0.69 | — | — | |
| SCHEMBL11120147 | 0.69 | — | — | |
| SCHEMBL9070609 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011133734-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-27 | — | — | WO | disclosed |