⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83545 | 0.83 | — | — | |
| SCHEMBL24736823 | 0.83 | — | — | |
| SCHEMBL22375736 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL8763387 | 0.80 | — | — | |
| SCHEMBL21021642 | 0.79 | — | — | |
| SCHEMBL15629139 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL7875857 | 0.78 | — | — | |
| SCHEMBL10456183 | 0.78 | — | — | |
| SCHEMBL8440625 | 0.78 | — | — | |
| SCHEMBL28490600 | 0.78 | — | — |
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-108314924-B | Method for stripping 3PE anticorrosive layer by chemical method | 灵璧县浩翔信息科技有限公司 | 2020-12-04 | — | — | CN | claimed |
| CN-108314924-B | Method for stripping 3PE anticorrosive layer by chemical method | 灵璧县浩翔信息科技有限公司 | 2020-12-04 | — | — | CN | disclosed |
| CN-108314924-A | A kind of method of chemical method stripping 3PE erosion resistant coatings | 刘屹凡 | 2018-07-24 | — | — | CN | disclosed |
| WO-2016145032-A1 | COMPOSITIONS FOR USE IN TREATING PULMONARY ARTERIAL HYPERTENSION | PELOTON THERAPEUTICS, INC. (US) | 2016-09-15 | — | — | WO | 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 |