SCHEMBL30730741

SCHEMBL30730741

C=C(C)C(=O)OC12CC3(C)CC(C)(C1)CC(OC(=O)C(=C)C)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12432887 0.98 ALDH1A1 (0.39) ALDH1A1PKMTSHRHSD17B10
SCHEMBL678207 0.93 ALDH1A1 (0.38) ALDH1A1PKMTSHRHSD17B10
SCHEMBL29725705 0.93 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL6560036 0.89 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10
SCHEMBL677974 0.89 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL12153615 0.88 THRB (0.34) ALDH1A1TSHR
SCHEMBL12170316 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL678430 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL678294 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL678431 0.84 ALDH1A1 (0.37) ALDH1A1PKMTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4560309-A1 SEQUENCE ANALYZING METHOD, SEQUENCE ANALYZING DEVICE, POLYMERIZATION CONDITION PROPOSING DEVICE, AND AUTOMATIC SYNTHESIZING DEVICE National Institute for Materials Science (JP) 2025-05-28 EP disclosed
WO-2025033010-A1 COMPOSITION ESTIMATION METHOD, COMPOSITION ESTIMATION DEVICE, PROGRAM, SAMPLE CONTAINER, AND THERMOGRAVIMETRY/MASS SPECTROMETRY METHOD 国立研究開発法人物質・材料研究機構 2025-02-13 WO disclosed
WO-2024018725-A1 SEQUENCE ANALYZING METHOD, SEQUENCE ANALYZING DEVICE, POLYMERIZATION CONDITION PROPOSING DEVICE, AND AUTOMATIC SYNTHESIZING DEVICE 国立研究開発法人物質・材料研究機構 2024-01-25 WO disclosed