SCHEMBL7974252

SCHEMBL7974252

CCCCCC1CCC(C)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.34
▸ 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
Cyanide SCHEMBL28149772 0.95 EPHX1 (0.32) EPHX1
SCHEMBL1155362 0.94 CYP1A2 (0.34) —
SCHEMBL11033685 0.81 ALDH1A1 (0.41) EPHX1ALDH1A1
Ammonia Solution, Strong SCHEMBL22283017 0.79 ALDH1A1 (0.39) EPHX1ALDH1A1
SCHEMBL27686633 0.77 — —
SCHEMBL27842330 0.74 — —
Ammonia Solution, Strong SCHEMBL8882238 0.72 EPHX1 (0.41) EPHX1ALDH1A1
Water SCHEMBL10626597 0.72 CYP1A2 (0.37) ALDH1A1
SCHEMBL22471680 0.67 ALDH1A1 (0.41) EPHX1ALDH1A1
SCHEMBL17351132 0.67 ALDH1A1 (0.41) EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242393-B1 NAPHTHENIC HYDROCARBONS, CARBOXYLATES OR CARBONATES FOR TRACTION NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-06-05 — — US disclosed
EP-0949319-A2 Traction drive fluid Nippon Mitsubishi Oil Corporation (JP) 1999-10-13 — — EP disclosed
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