⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2256439 | 0.80 | — | — | |
| SCHEMBL317886 | 0.79 | — | — | |
| SCHEMBL14654820 | 0.79 | — | — | |
| SCHEMBL1012485 | 0.79 | OPRM1 (0.75) | — | |
| SCHEMBL18400724 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29135467 | 0.76 | OPRM1 (0.61) | — | |
| SCHEMBL10922365 | 0.76 | OPRM1 (0.71) | — | |
| SCHEMBL7734724 | 0.76 | OPRM1 (0.71) | — | |
| SCHEMBL49007 | 0.76 | OPRM1 (0.71) | — | |
| Hydrochloric Acid SCHEMBL28235077 | 0.76 | OPRM1 (0.61) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103476745-B | Diamine compound containing sulfonic acid group and method for producing same | NITTO DENKO CORP. (JP) | 2015-09-30 | — | — | CN | disclosed |
| CN-104780761-A | Use of substituted 2, 3-dihydro-1-benzofuran-4-carboxylic acids or salts thereof as active substances against abiotic plant stress | BAYER CROPSCIENCE AG | 2015-07-15 | — | — | CN | disclosed |
| CN-1091288-A | The oxytocin antagonist | OTSUKA PHARMA CO LTD (JP) | 1994-08-31 | — | — | CN | disclosed |
| EP-0232623-B1 | 1-CARBACEPHALOSPORIN ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0232623-A1 | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |