⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10350231 | 0.88 | TSHR (0.40) | — | |
| SCHEMBL6130001 | 0.88 | TDP1 (0.56) | — | |
| SCHEMBL20380472 | 0.78 | — | — | |
| SCHEMBL4030204 | 0.78 | CYP2D6 (0.63) | — | |
| SCHEMBL26447205 | 0.78 | — | — | |
| SCHEMBL6048605 | 0.76 | — | — | |
| SCHEMBL6129984 | 0.75 | TDP1 (0.56) | — | |
| SCHEMBL14535085 | 0.74 | CES1 (0.55) | — | |
| SCHEMBL6731108 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL18641602 | 0.74 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2744773-B1 | FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE | BRITISH COLUMBIA CANCER AGENCY (CA) | 2016-11-02 | — | — | EP | disclosed |
| US-20080160017-A1 | Cross-Linked Antibodies | UCB BIOPHARMA SPRL (BE) | 2008-07-03 | — | — | US | disclosed |
| EP-1928992-A1 | CONSUMER PRODUCTS HAVING VARYING ODORS | Henkel AG & Co. KGaA (DE) | 2008-06-11 | — | — | EP | disclosed |
| US-20080070974-A1 | Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2008-03-20 | — | — | US | disclosed |
| WO-2007028479-A1 | CONSUMER PRODUCTS HAVING VARYING ODORS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-03-15 | — | — | WO | disclosed |