⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4377852 | 0.87 | — | — | |
| SCHEMBL875656 | 0.83 | — | — | |
| SCHEMBL2487463 | 0.81 | — | — | |
| SCHEMBL4373761 | 0.81 | GAA (0.75) | — | |
| Ethane SCHEMBL11330720 | 0.78 | MGAM (0.57) | — | |
| SCHEMBL337863 | 0.77 | TSHR (0.44) | — | |
| Butane SCHEMBL6979688 | 0.74 | LDHA (0.38) | — | |
| SCHEMBL4158637 | 0.74 | — | — | |
| SCHEMBL20242397 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL3379562 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257551-B1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-10 | — | — | EP | disclosed |
| US-8349828-B2 | Azatricyclic antibiotic compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-01-08 | — | — | US | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| US-20100331318-A1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-12-30 | — | — | US | disclosed |
| EP-2257551-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009104147-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-27 | — | — | WO | disclosed |
| US-20040058262-A1 | Toner and image forming method using the same and image forming apparatus | FUJI XEROX CO., LTD. (JP) | 2004-03-25 | — | — | US | disclosed |
| US-5364876-A | Tranquilizers, analgesics, learning enhancement | GUILFORD PHARMACEUTICALS INC. (US) | 1994-11-15 | — | — | US | disclosed |
| US-4013714-A | SUBSTITUTED BIS-(DICARBOXYMETHYL)-ETHERS | MONSANTO COMPANY (US) | 1977-03-22 | — | — | US | disclosed |
| US-3971379-A | Absorbent hydrophilic cellulosic product | PERSONAL PRODUCTS COMPANY (US) | 1976-07-27 | — | — | US | disclosed |