⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1050075 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL1334082 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL5177577 | 0.85 | TSHR (0.44) | — | |
| SCHEMBL5185774 | 0.83 | TSHR (0.59) | — | |
| SCHEMBL5029019 | 0.83 | TSHR (0.59) | — | |
| SCHEMBL27489612 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL10894635 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL15542755 | 0.79 | — | — | |
| SCHEMBL6407067 | 0.79 | — | — | |
| SCHEMBL14764019 | 0.79 | — | — |
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-20230331657-A1 | NANOMATERIALS COMPRISING ESTER-LINKED ACETALS | BEAM THERAPEUTICS INC. | 2023-10-19 | — | — | US | disclosed |
| EP-1412323-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003014068-A1 | PROTECTED 3.5-DIHYDROXY-2.2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-02-20 | — | — | WO | disclosed |