⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7845474 | 0.79 | — | — | |
| SCHEMBL7851831 | 0.73 | — | — | |
| SCHEMBL477869 | 0.72 | — | — | |
| SCHEMBL7922398 | 0.69 | — | — | |
| SCHEMBL7923942 | 0.69 | — | — | |
| SCHEMBL7845769 | 0.69 | — | — | |
| SCHEMBL3628376 | 0.67 | — | — | |
| SCHEMBL3724340 | 0.67 | — | — | |
| SCHEMBL15978327 | 0.67 | — | — | |
| SCHEMBL5149186 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101820928-B | Ophthalmic and otorhinolaryngological device materials | ALCON INC | 2014-05-21 | — | — | CN | disclosed |
| CN-101820928-A | Ophthalmic and otorhinolaryngological device materials | ALCON INC | 2010-09-01 | — | — | CN | disclosed |
| CN-100360501-C | Process for preparing dithioesters | ROHMAX ADDITIVES GMBH (DE) | 2008-01-09 | — | — | CN | disclosed |
| CN-1761647-A | Process for preparing dithioesters | ROHMAX ADDITIVES GMBH (DE) | 2006-04-19 | — | — | CN | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |