⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9359306 | 0.78 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9360848 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL11132592 | 0.71 | ESR2 (0.43) | — | |
| SCHEMBL11876478 | 0.66 | ESR2 (0.48) | — | |
| SCHEMBL820505 | 0.66 | ESR2 (0.48) | — | |
| SCHEMBL645262 | 0.64 | TSHR (0.48) | — | |
| SCHEMBL769515 | 0.63 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL30359283 | 0.63 | SMN1; SMN2 (0.51) | — | |
| Bicarbonate SCHEMBL11598084 | 0.63 | ESR2 (0.41) | — | |
| SCHEMBL10629422 | 0.63 | ESR2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5346670-A | Phthalocyanine and tetrabenztriazaporphyrin reagents | BRITISH TECHNOLOGY GROUP U.S.A. INC. (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0434727-A4 | RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS | ULTRA DIAGNOSTIC CORP (US) | 1994-08-17 | — | — | EP | disclosed |
| US-5135717-A | Imaging therapy | BRITISH TECHNOLOGY GROUP USA INC. (US) | 1992-08-04 | — | — | US | disclosed |
| EP-0434727-A1 | RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS | BRITISH TECHNOLOGY GROUP (USA) INCORPORATED (US) | 1991-07-03 | — | — | EP | disclosed |
| WO-1990002747-A1 | RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS | ULTRA DIAGNOSTICS CORPORATION (US) | 1990-03-22 | — | — | WO | disclosed |