⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2524990 | 0.73 | USP2 (0.32) | — | |
| SCHEMBL7397987 | 0.70 | USP2 (0.34) | — | |
| SCHEMBL28835008 | 0.68 | — | — | |
| SCHEMBL841368 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL10250186 | 0.66 | — | — | |
| SCHEMBL11138804 | 0.64 | SLC6A3 (0.38) | — | |
| SCHEMBL19540348 | 0.63 | — | — | |
| SCHEMBL22932593 | 0.63 | CYP2D6 (0.30) | — | |
| SCHEMBL22140422 | 0.62 | — | — | |
| SCHEMBL28540604 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175306-A | Intermediates for hypotensive agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-12-29 | — | — | US | disclosed |
| US-4822894-A | PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-18 | — | — | US | disclosed |
| EP-0094633-B1 | SPIRO-2-AZA-ALKANE-3-CARBONITRILES, PROCESS FOR THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-11-09 | — | — | EP | disclosed |
| EP-0115345-B1 | PROCESS FOR THE RESOLUTION OF RACEMIC OPTICALLY ACTIVE BICYCLIC IMINO-ALPHA-CARBOXYLIC ACID ESTERS AND USE OF THE COMPOUNDS OBTAINABLE IN THIS WAY FOR THE SYNTHESIS OF CARBOXYALKYL DIPEPTIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-07 | — | — | EP | disclosed |
| US-4668796-A | Racemates of optically active bicyclic imino-alpha-carboxylic esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-05-26 | — | — | US | disclosed |
| US-4515960-A | INTERMEDIATES FOR HYPOTENSIVES | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-05-07 | — | — | US | disclosed |
| EP-0115345-A1 | Process for the resolution of racemic optically active bicyclic imino-alpha-carboxylic acid esters and use of the compounds obtainable in this way for the synthesis of carboxyalkyl dipeptides | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-08-08 | — | — | EP | disclosed |
| EP-0094633-A2 | Spiro-2-aza-alkane-3-carbonitriles, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-11-23 | — | — | EP | disclosed |