⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7542281 | 0.74 | — | — | |
| SCHEMBL2514064 | 0.74 | — | — | |
| SCHEMBL2514065 | 0.74 | — | — | |
| SCHEMBL7542313 | 0.74 | — | — | |
| SCHEMBL7156230 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL30492887 | 0.72 | — | — | |
| SCHEMBL17674365 | 0.72 | ALDH1A1 (0.57) | — | |
| SCHEMBL15976418 | 0.70 | — | — | |
| SCHEMBL11442624 | 0.69 | BLM (0.48) | — | |
| SCHEMBL11442625 | 0.69 | BLM (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4340708-A | ACRYLIC ESTERS AND A CYANO-ACETIC ACID, ESTOR OR AMIDE IS PRESSENT | HENKEL KOMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1982-07-20 | — | — | US | claimed |
| EP-1140826-A1 | METHOD FOR PRODUCING (2S,4R,9S)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AND INTERMEDIATE PRODUCTS THEREFOR | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040555-A1 | METHOD FOR PRODUCING (2S,4R,9S)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID AND INTERMEDIATE PRODUCTS THEREFOR | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-13 | — | — | WO | disclosed |
| US-4340708-A | ACRYLIC ESTERS AND A CYANO-ACETIC ACID, ESTOR OR AMIDE IS PRESSENT | HENKEL KOMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1982-07-20 | — | — | US | disclosed |