SCHEMBL6129697

SCHEMBL6129697

C[C](C)C.[CH2]Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ NOS2 P35228 2/20 0.43
▸ TRPA1 O75762 2/20 0.43
▸ CALM1 P0DP23 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39

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
Acetic Acid SCHEMBL11419755 0.90 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
Acetic Acid SCHEMBL11183581 0.90 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
Acetic Acid SCHEMBL10721378 0.90 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
Acetic Acid SCHEMBL11422199 0.90 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
Benzene SCHEMBL28114321 0.88 CALM1 (0.53) TSHRTP53ALDH1A1TRPA1CALM1
SCHEMBL28 0.88 — —
SCHEMBL28054464 0.86 TP53 (0.48) TSHRTP53ALDH1A1TRPA1CALM1
Chloromethane SCHEMBL28259920 0.86 TP53 (0.48) TSHRTP53ALDH1A1TRPA1CALM1
SCHEMBL28997420 0.85 — —
SCHEMBL21680909 0.85 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086156-A4 PRODUCTION OF ACETAL DERIVATIZED HYDROXYL AROMATIC POLYMERS AND THEIR USE IN RADIATION SENSITIVE FORMULATIONS ARCH SPEC CHEM INC (US) 2005-02-02 — — EP disclosed
EP-1086156-A1 PRODUCTION OF ACETAL DERIVATIZED HYDROXYL AROMATIC POLYMERS AND THEIR USE IN RADIATION SENSITIVE FORMULATIONS ARCH SPECIALTY CHEMICALS, INC. (US) 2001-03-28 — — EP disclosed
US-6159653-A Production of acetal derivatized hydroxyl aromatic polymers and their use in radiation sensitive formulations ARCH SPECIALTY CHEMICALS, INC. (US) 2000-12-12 — — US disclosed
US-6133412-A ACID CATALYZED ACETALIZATION OF A VINYL ETHER BY REACTING WITH BOTH A HYDROXY AROMATIC MONOMER OR POLYMER AND A MONOALCOHOL TO FORM PHOTORESIST RESIN ARCH CHEMICALS, INC. (US) 2000-10-17 — — US disclosed
WO-1999052957-A1 PRODUCTION OF ACETAL DERIVATIZED HYDROXYL AROMATIC POLYMERS AND THEIR USE IN RADIATION SENSITIVE FORMULATIONS ARCH SPECIALTY CHEMICALS, INC. (US) 1999-10-21 — — WO disclosed
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