⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15218627 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27713122 | 0.68 | — | — | |
| SCHEMBL8449160 | 0.66 | — | — | |
| SCHEMBL7107068 | 0.66 | — | — | |
| SCHEMBL8449304 | 0.64 | — | — | |
| SCHEMBL3616458 | 0.64 | — | — | |
| SCHEMBL14312185 | 0.61 | — | — | |
| SCHEMBL12694734 | 0.61 | — | — | |
| SCHEMBL5547697 | 0.61 | CA12 (0.42) | — | |
| SCHEMBL11037850 | 0.60 | TSHR (0.37) | — |
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-8828691-B2 | Process for resolving cyclopropyl diesters | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-09 | — | — | US | disclosed |
| US-20130224812-A1 | Process for Resolving Cyclopropyl Diesters | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-08-29 | — | — | US | disclosed |