⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1010827 | 0.79 | SLC6A3 (0.42) | — | |
| SCHEMBL1333467 | 0.73 | CYP2D6 (0.35) | — | |
| SCHEMBL24249328 | 0.69 | — | — | |
| SCHEMBL22323714 | 0.69 | — | — | |
| SCHEMBL14639593 | 0.68 | BRD4 (0.38) | — | |
| SCHEMBL19925723 | 0.67 | — | — | |
| SCHEMBL10396183 | 0.65 | GRM8 (0.32) | — | |
| SCHEMBL1693810 | 0.64 | BLM (0.40) | — | |
| SCHEMBL24616546 | 0.63 | — | — | |
| SCHEMBL19927564 | 0.63 | CRBN (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030065183-A1 | Process for producing optically active tropinonemonocarboxylic acid ester derivative | NIHON MEDI-PHYSICS CO., LTD. | 2003-04-03 | — | — | US | disclosed |
| US-6486323-B1 | Process for producing optically active tropinonemonocarboxylic acid derivative | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2002-11-26 | — | — | US | disclosed |
| EP-1118674-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE | Nihon Medi-Physics Co., Ltd. (JP) | 2001-07-25 | — | — | EP | disclosed |