SCHEMBL8973144

SCHEMBL8973144

C1=C2CCC(C1)C2.C1=CC2CCC1C2.C=CCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL8415837 0.85 TSHR (0.45) TSHRALDH1A1
SCHEMBL8088833 0.85 TSHR (0.45) TSHRALDH1A1
SCHEMBL28876203 0.82 TSHR (0.59) TSHRALDH1A1
SCHEMBL22203987 0.82 TSHR (0.59) TSHRALDH1A1
SCHEMBL8632662 0.82 TSHR (0.59) TSHRALDH1A1
Hexane SCHEMBL6758220 0.78 CYP1A2 (0.31)
SCHEMBL1836009 0.78
SCHEMBL8415839 0.76 TSHR (0.56) TSHRALDH1A1
SCHEMBL8088836 0.76 TSHR (0.56) TSHRALDH1A1
Ethylene SCHEMBL27411688 0.74 TSHR (0.54) TSHRALDH1A1

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
US-5569730-A HAVING TERMINAL END GROUP DERIVED FROM CHAIN TRANSFER AGENT CONTAINING TERMINAL OLEFINIC DOUBLE BOND THE B. F. GOODRICH COMPANY (US) 1996-10-29 US disclosed