Benzene

Benzene

SCHEMBL28117538

C=CCC#N.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL149810 0.90
SCHEMBL27814263 0.90 ALDH1A1 (0.47) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL6139423 0.87
SCHEMBL8754040 0.87
SCHEMBL11496974 0.87
Biphenyl SCHEMBL27946872 0.85 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2GAACYP2D6
Thiophene SCHEMBL28565010 0.82 ALDH1A1 (0.33) ALDH1A1
Styrene SCHEMBL28107406 0.82 ALDH1A1 (0.58) ALDH1A1TSHRCYP1A2GAACYP2D6
Acrylonitrile SCHEMBL25260377 0.81
SCHEMBL9622405 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699183-A Composition and new compound 株式会社艾迪科 2018-10-23 CN disclosed
CN-108475019-A Black-colored photosensitive resin composition 株式会社艾迪科 2018-08-31 CN disclosed
CN-104871045-B Coloring photosensitive combination and compound 株式会社艾迪科 2018-02-02 CN disclosed
CN-104507978-B COLORED PHOTOSENSITIVE COMPOSITION 株式会社艾迪科 2017-03-22 CN disclosed