SCHEMBL28405366

SCHEMBL28405366

CCOC(=O)C1CCCCCCCCC1.O=C(O)C1CCCCCCCCC1.O=C(O)C1CCCCCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PPM1B O75688 1/20 0.50
PTPN1 P18031 1/20 0.50
PPP1CC P36873 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL29291438 1.00 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APPM1BPTPN1
Bicarbonate SCHEMBL9233185 0.92 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL11591761 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL15443062 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL9806822 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL18888 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL1441063 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL11807272 0.92 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL23421317 0.92 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL23421316 0.92 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APPM1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353932-B Essence composition for controlling saponification speed, application thereof and cold-made soap 江门市和馨香精技术有限公司 2023-10-20 CN claimed
CN-115353932-B Essence composition for controlling saponification speed, application thereof and cold-made soap 江门市和馨香精技术有限公司 2023-10-20 CN disclosed
CN-111133086-B Composition comprising odorant 丝趣科尔卡有限公司 2023-09-05 CN disclosed
CN-113474324-A Isobutyrate compounds having n-butyryloxy group at alpha position, fragrance compositions and use as fragrance 三菱瓦斯化学株式会社 2021-10-01 CN disclosed
CN-112334567-A Odorant secondary alcohols and compositions thereof 丝趣科尔卡有限公司 2021-02-05 CN disclosed
CN-110302727-B Millimeter-sized microcapsule and preparation method thereof 江南大学 2020-11-06 CN disclosed
CN-111770980-A Odorous acetals of ethyl vanillin and ethyl vanillin derivatives 丝趣科尔卡有限公司 2020-10-13 CN disclosed
CN-111133086-A Compositions comprising odorants 丝趣科尔卡有限公司 2020-05-08 CN disclosed