⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5653718 | 0.80 | — | — | |
| SCHEMBL1191920 | 0.79 | — | — | |
| SCHEMBL15569675 | 0.75 | — | — | |
| SCHEMBL5855273 | 0.73 | — | — | |
| SCHEMBL2374906 | 0.71 | — | — | |
| 2-Ethylhexanoic Acid SCHEMBL2493054 | 0.70 | CA2 (0.46) | — | |
| SCHEMBL525645 | 0.70 | AKR1B1 (0.34) | — | |
| Bicarbonate SCHEMBL12502157 | 0.69 | AKR1B1 (0.33) | — | |
| SCHEMBL1844205 | 0.66 | — | — | |
| SCHEMBL499958 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5494091-A | SULFUR VULCANIZED GRAFT COPOLYMER OF ISOPRENE-CONJUGATED DIENE-MONOOLEFIN-DIENE-ETHYLENE-PROPYLENE AND ALPHA-BETA-ETHYLENICALLY UNSATURATED CARBOXYLIC ACID METAL SALT; EXHIBITS RUN FLAT PROPERTIES | BRIDGESTONE CORPORATION (JP) | 1996-02-27 | — | — | US | disclosed |