SCHEMBL31346264

SCHEMBL31346264

C=C(CC=C(C)C)CCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CES1 P23141 2/20 0.34
CES2 O00748 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP19A1 P11511 1/20 0.31
SQLE Q14534 1/20 0.31
KMT2A Q03164 1/20 0.30
CA1 P00915 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
SCHEMBL31346266 0.93 CES2 (0.36) TSHRCES1CES2ALDH1A1CYP19A1
SCHEMBL31346265 0.91 CES2 (0.38) TSHRCES1CES2ALDH1A1KMT2A
SCHEMBL1982384 0.86 TSHR (0.38) TSHRALDH1A1SQLEKMT2A
SCHEMBL28838394 0.83 CES1 (0.32) CES1CES2
SCHEMBL1982504 0.80 TSHR (0.48) TSHRALDH1A1SQLEKMT2A
SCHEMBL3640544 0.76
SCHEMBL3856926 0.76 TSHR (0.38) TSHRALDH1A1SQLEKMT2A
SCHEMBL28120531 0.76
SCHEMBL3645944 0.74 CES1 (0.35) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL3645943 0.74 CES1 (0.35) CES1CES2ALDH1A1TP53KMT2A

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-12281270-B2 Sustainable turbine and diesel fuels from isoprene and α olefins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2025-04-22 US disclosed
US-20240409833-A1 Sustainable Turbine and Diesel Fuels from Isoprene and Alpha Olefins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2024-12-12 US disclosed