SCHEMBL28325095

SCHEMBL28325095

CCOC(CCCCCCCCCCCBr)OCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.32
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29992494 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL3993550 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL19305257 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL10375027 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL9544065 0.98 THRB (0.35) THRBLMNA
SCHEMBL6915938 0.90 THRB (0.36) THRBLMNA
SCHEMBL8431364 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7936833 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7928503 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7937407 0.87 THRB (0.42) THRBSMPD1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372482-B Poplar canula moth sex pheromone active ingredient and preparation and identification method thereof 中国林业科学研究院森林生态环境与保护研究所 2022-05-17 CN claimed
CN-111302918-A Stereoselective synthesis method of (Z, E) -13, 15-octadecadienal 中国林业科学研究院森林生态环境与保护研究所 2020-06-19 CN claimed
CN-110372482-A A kind of micromelalopha troglodyte sex pheromone active constituent and its preparation and authentication method 中国林业科学研究院森林生态环境与保护研究所 2019-10-25 CN claimed
CN-110372482-B Poplar canula moth sex pheromone active ingredient and preparation and identification method thereof 中国林业科学研究院森林生态环境与保护研究所 2022-05-17 CN disclosed
CN-111302918-A Stereoselective synthesis method of (Z, E) -13, 15-octadecadienal 中国林业科学研究院森林生态环境与保护研究所 2020-06-19 CN disclosed
CN-110372482-A A kind of micromelalopha troglodyte sex pheromone active constituent and its preparation and authentication method 中国林业科学研究院森林生态环境与保护研究所 2019-10-25 CN disclosed