⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18766468 | 1.00 | — | — | |
| SCHEMBL6274708 | 0.85 | — | — | |
| SCHEMBL28929421 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL2126231 | 0.76 | — | — | |
| SCHEMBL599901 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL1790406 | 0.76 | — | — | |
| SCHEMBL10518812 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL8373140 | 0.73 | — | — | |
| SCHEMBL23846021 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL31380967 | 0.72 | TSHR (0.44) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101108866-A | Method of preparing tilmicosin | LUOYANG PULIKE BIOLOGY ENGINEE (CN) | 2008-01-23 | — | — | CN | claimed |
| CN-102060800-B | Method for synthesizing 5-chlorine-4-formyl oxazole | UNIV ZHEJIANG TECHNOLOGY | 2012-11-21 | — | — | CN | disclosed |
| CN-102372810-A | Method for preparing isomonoolefin-multiolefin copolymer | CHINA PETROLEUM & CHEMICAL | 2012-03-14 | — | — | CN | disclosed |
| CN-102372822-A | Method for preparing isomonoolefin-multiolefin copolymer | CHINA PETROLEUM & CHEMICAL | 2012-03-14 | — | — | CN | disclosed |
| CN-102060800-A | Method for synthesizing 5-chlorine-4-formyl oxazole | UNIV ZHEJIANG TECHNOLOGY | 2011-05-18 | — | — | CN | disclosed |
| CN-101108866-A | Method of preparing tilmicosin | LUOYANG PULIKE BIOLOGY ENGINEE (CN) | 2008-01-23 | — | — | CN | disclosed |
| CN-1321101-C | New retinoids for the treatment of emphysema | HOFFMANN LA ROCHE CO LTD (CH) | 2007-06-13 | — | — | CN | disclosed |
| CN-1222505-C | Novel process for the preparation of N,N'-dialkylalkanediamines | MITSUI CHEMICALS INC (JP) | 2005-10-12 | — | — | CN | disclosed |
| CN-1468207-A | Novel retinoid compounds for the treatment of emphysema | - | 2004-01-14 | — | — | CN | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| CN-1296472-A | Novel process for the preparation of N,N'-dialkylalkanediamines | MITSUI CHEMICALS INC (JP) | 2001-05-23 | — | — | CN | 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 |