⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14245365 | 0.82 | — | — | |
| SCHEMBL27711944 | 0.78 | — | — | |
| SCHEMBL6043728 | 0.76 | CHRM2 (0.30) | — | |
| SCHEMBL10974951 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL28745604 | 0.73 | CTSK (0.32) | — | |
| SCHEMBL27615460 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL5580282 | 0.71 | CA1 (0.31) | — | |
| SCHEMBL27649670 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL79871 | 0.68 | — | — | |
| SCHEMBL2086452 | 0.68 | DGAT1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1089760-C | Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof | SUNTORY LTD (JP) | 2002-08-28 | — | — | CN | disclosed |
| CN-1236363-A | Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof | SUNTORY LTD (JP) | 1999-11-24 | — | — | CN | disclosed |
| US-5952506-A | Process for the synthesis of 4- 6- (hexylcarbamoyloxy) hexylcarbamoyloxy!-piperidine-1-carboxylic acid 4-phenoxyphenyl ester | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-09-14 | — | — | US | disclosed |
| WO-1998047870-A1 | PROCESS FOR THE SYNTHESIS OF 4-[6-(HEXYLCARBAMOYLOXY) HEXYLCARBAMOYLOXY]-PIPERIDINE-1- CARBOXYLIC ACID 4-PHENOXYPHENYL ESTER | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-10-29 | — | — | WO | disclosed |
| US-5625075-A | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1997-04-29 | — | — | US | disclosed |