Ethane

Ethane

SCHEMBL28797341

C=CCCCC.CC.N=C=O.N=C=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.32
TRPA1 O75762 3/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
FAAH O00519 1/20 0.31
HPGD P15428 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
SCHEMBL9396633 0.98
SCHEMBL9396638 0.98 TSHR (0.70) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL27805642 0.91 TSHR (0.68) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL9473043 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL11159328 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL8664886 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL7035963 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL28985614 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
SCHEMBL27801374 0.88 TSHR (0.73) TSHRALDH1A1LMNATRPA1ABCC4
Carbon Dioxide SCHEMBL29204121 0.85 TSHR (0.74) TSHRALDH1A1LMNATRPA1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN disclosed