SCHEMBL8600425

SCHEMBL8600425

[C-]#[N+]c1ccc(-c2ccc([N+]#[C-])c(C)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MCL1 Q07820 1/20 0.34
TP53 P04637 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HPGD P15428 1/20 0.32
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL29839690 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1MCL1
SCHEMBL985929 0.80 TDP1 (0.42) ALDH1A1CYP3A4TDP1TP53
SCHEMBL29953658 0.80 TDP1 (0.42) ALDH1A1CYP3A4TDP1TP53
SCHEMBL2741041 0.76 ACHE (0.35) ALDH1A1
SCHEMBL29955874 0.76 ALDH1A1 (0.35) ALDH1A1CA1CA2
SCHEMBL9272780 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRHPGDCA1
SCHEMBL324210 0.76 ALDH1A1 (0.35) ALDH1A1CA1CA2
SCHEMBL8148963 0.76 CYP3A4 (0.41) CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL11711803 0.75 CYP3A4 (0.40) CYP3A4TSHRTP53
SCHEMBL12049341 0.75 TSHR (0.41) ALDH1A1TSHRTDP1HPGDCA1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240301124-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-09-12 US claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP claimed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO claimed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US claimed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US claimed
EP-4077454-A1 POLYUREA COPOLYMER BASF SE (DE) 2022-10-26 EP claimed
WO-2022194979-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2022-09-22 WO claimed
WO-2021122472-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
WO-2021122480-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
US-20240301124-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-09-12 US disclosed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US disclosed
WO-2024064691-A1 SYSTEM AND METHOD FOR PFAS CONTAINMENT BASF SE (DE) 2024-03-28 WO disclosed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP disclosed
US-4169955-A GRAFT POLYMER INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-02 US disclosed
US-4155824-A ACRYLIC POLYMER CONTAINING OXIRANE GROUPS WHICH HAVE BEEN OPENED WITH A FATTY ACID AND AN AMINE GROW CHEMICAL CORP. (US) 1979-05-22 US disclosed
US-4151227-A Acrylic graft copolymers and coating compositions thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-24 US disclosed
US-4148704-A ADHESION, CORROSION RESISTANCE, GLOSS GROW CHEMICAL CORP. (US) 1979-04-10 US disclosed
US-3969569-A ALLYL ALCOHOL POLYMER AND A POLYISOCYANATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed