⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6781313 | 0.79 | — | — | |
| SCHEMBL18137236 | 0.73 | ITGB3 (0.39) | — | |
| SCHEMBL11498473 | 0.68 | TSHR (0.45) | — | |
| SCHEMBL8007269 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL29816130 | 0.67 | MAOA (0.35) | — | |
| SCHEMBL30672507 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL980578 | 0.67 | MAOA (0.35) | — | |
| Hydrochloric Acid SCHEMBL27489771 | 0.66 | BLM (0.34) | — | |
| Hydrochloric Acid SCHEMBL3719374 | 0.66 | BLM (0.34) | — | |
| SCHEMBL27190625 | 0.65 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013123403-A1 | THERANOSTICS PLATFORM AND METHODS OF USE | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2013-08-22 | — | — | WO | disclosed |
| EP-0724606-A1 | PREPARATION OF POLY(ETHER-ESTERS) FROM TETRAHYDROFURANS AND POLYCARBOXYLIC ACIDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011267-A1 | PREPARATION OF POLY(ETHER-ESTERS) FROM TETRAHYDROFURANS AND POLYCARBOXYLIC ACIDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-04-27 | — | — | WO | disclosed |