⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9622191 | 1.00 | — | — | |
| SCHEMBL9755615 | 1.00 | — | — | |
| SCHEMBL13176772 | 0.70 | HCAR2 (0.35) | — | |
| SCHEMBL5044448 | 0.66 | — | — | |
| SCHEMBL14011854 | 0.66 | — | — | |
| SCHEMBL172436 | 0.65 | — | — | |
| SCHEMBL2632693 | 0.65 | — | — | |
| SCHEMBL6101798 | 0.65 | — | — | |
| SCHEMBL8642239 | 0.65 | — | — | |
| SCHEMBL6260802 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991012257-A2 | SYNTHESIS OF SUGARS AND AMINO ACIDS FROM SUBSTITUTED AND UNSUBSTITUTED ARENE DIOLS | GENENCOR INTERNATIONAL, INC. (US) | 1991-08-22 | — | — | WO | claimed |
| CN-114230586-A | Unsaturated carbocyclic boron trifluoride salt electrolyte and preparation and application thereof | 北京卫蓝新能源科技有限公司 | 2022-03-25 | — | — | CN | disclosed |
| WO-1992010455-A1 | BASE-CATALYZED DEHYDRATION OF SUBSTITUTED CIS-1,2-DIHYDROXYCYCLOHEXA-3,5-DIENES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-06-25 | — | — | WO | disclosed |
| US-5093514-A | 3-hydroxy isomer favored | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-4889804-A | CULTURE PRODUCT CONTAINING PSEUDOMONAS | SHELL OIL COMPANY (US) | 1989-12-26 | — | — | US | disclosed |