Sugi Predict

Sugi Predict / Compounds / Ethane

Ethane

Ethane

SCHEMBL8635771

CC.CC[SiH2][Zr+2](C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21)C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 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
Hexane SCHEMBL8633293 0.95 — —
Propane SCHEMBL8628910 0.87 — —
Ethane SCHEMBL8629729 0.87 GABRA1 (0.30) GABRA1GABRB2
Hexane SCHEMBL8605096 0.86 — —
Ethane SCHEMBL8634266 0.83 — —
Hexane SCHEMBL8630580 0.79 SOAT1 (0.33) —
Hydrochloric Acid SCHEMBL6471000 0.76 GABRA1 (0.30) GABRA1GABRB2
Hydrochloric Acid SCHEMBL937824 0.76 GABRA1 (0.30) GABRA1GABRB2
Hydrochloric Acid SCHEMBL29710447 0.76 GABRA1 (0.30) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7719961 0.76 GABRA1 (0.30) GABRA1GABRB2

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
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 — — US claimed
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 — — US disclosed
US-5693730-A METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-02 — — US disclosed